1 Chemical and Physical, Health and Safety, Regulatory, Properties on STN

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Chemical and Physical , Health and Safety,

Regulatory, Properties on STN

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Main Files(not document-based Filesnot document-based Files)

BEILSTEIN CHEMLIST CHEMSAFE DIPPR DETHERM GMELIN HSDB

MRCK MSDS-OHS MSDS-CCOHS RTECS REGISTRY TRCTHERMO

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Main Files(not document-based Filesnot document-based Files)

ALFRAC ASMDATA COPPERDATA MDF PLASPEC

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= equal to

- within a range

> greater than

< less than

>= greater or equal to

<= less or equal to

Numerical Operators

General Aspects

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=> help directory

=> help sfields => help dfields => help format

=> help properties

=> help set units=> help sunits => help dunits

=> help qrd

Usefull Helps

General Aspects

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General Aspects

Field Availability: FA search field

/FA search field:

- All property names and search codes indexed

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Units Systems available in the Numeric Files:

SI MKS CGS STN FPS ENG

Change unit(s) with: SET UNIT

General Aspects

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Physical Properties in Registry

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Properties in Registry

=> e property data/faE1 1196 PR/FAE2 1196 PREFERRED REGISTRY NUMBER/FAE3 19195306 --> PROPERTY DATA/FA19195306 --> PROPERTY DATA/FAE4 25233068 REF.CA/FAE5 461964 REF.CAD/FAE6 1448140 REF.CAOLD/FAE7 25310514 REF.CAPLUS/FAE8 51553 REFRACTIVE INDEX/FAE9 76112 RELATED POLYMERS/FAE10 398756 REPLACED REGISTRY NUMBER/FAE11 51553 RI/FAE12 17466768 RING SYSTEM DATA/FA

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Calculated data

Experimental data

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Calculated data

Values for the calculated physical properties in the REGISTRY file were determined using CAS connection tables and software developed byAdvanced Chemistry Development, Inc.

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Calculated data

pKa for the most acidic and most basic centers in the molecule

Number of Hydrogen Donors / Acceptors

Number of Rotatable Bonds

Molecular Weight

Molar Solubility in water at various pHs

logP/logD (water-octanol partition coefficients)


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Calculated data

Bioconcentration factor

Boiling point

Enthalpy of Vaporization

Flash point

Organic Carbon Adsorption Coefficient (Koc)

Vapor pressure

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* Bioconcentration Factor - provides an indication of how readily a substance accumulates in organisms, living in an environment polluted by that substance (applies primarily, but is not limited to, aquatic environments)

* Boiling Point - provides an indication of the temperature at which a compound goes from the liquid to gaseous state

* Enthalpy of Vaporization - provides an indication of the volatilization characteristics of a compound and is useful in remediation studies involving organic compounds

* Flash Point - provides an indication of the temperature at which a substance ignites and is useful in predicting explosive atmospheres in chemical manufacturing and processing applications

* Organic Carbon Adsorption Coefficient (Koc) - provides an indication of how readily a substance accumulates in the organic component of soils and other particulate matter vs. migrating with the aqueous environment surrounding soil particles and is especially important in remediation and bioavailability studies

* Vapor pressure - provides an indication of a compound's tendency to evaporate


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Calculated data

Property Search Example Units ---------- ----------------- ------- Freely Rotatable Bonds S 2-5/FRB --- Hydrogen Donors S HD<=5 --- Hydrogen Acceptors S 1-3/HAC --- LogD S 2.21/LOGD --- LogP S LOGP<=3 --- Molar Solubility S SLB.MOL>=1 MOL/L Molecular Weight S MW<200 --- pKa S PKA<=-0.62 ---

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The LipinskiLipinski, calculated properties, are the important characteristics for successful drug candidates.

<=5 Hydrogen-bond donors <=10 Hydrogen-bond acceptors <=500 Molecular weight <=5 Calculated logP

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Experimental data

The source of experimental property data in the REGISTRY file is the SPRESI database produced by ZIC/VINITI and offered by Infochem. The data added to the REGISTRY file are from the journal and patent literature in the time period 1975-.

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Properties in RegistryExperimental data

Definitions: Boiling Point - the temperature at which . . . . Density - mass per unit volume of . . . . Melting Point - the temperature at which . . . . Some melting point temperatures may be flagged . . . Polymorph - indicates the melting point . . . Sublm - indicates the temperature . . . . Decomp - indicates the temperature . . . . Optical Rotatory Power - the degree of rotation . . . . Refractive Index - the ratio of the . . . .

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Experimental data

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Substance table with properties:

Structure CAS Registry Number

CAS Index Name

Molecular Formula

Calculated Properties

Experimental Properties

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Use (P)-operator to combine property values with property conditions

(P)-operator (P)-operator

Strategies for searching property information

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Basic strategies search a property directly

173/BP

Advanced strategies offer search precisionProperty note (PNT), Property source (PSO), Property type (PTYP)Uncertainty range (UR)

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=> mw>=100 and bp>=200 and mp<=100

TERM 'MW>=100' EXCEEDED TRUNCATION LIMITS - SEARCH ENDED

=> bp>=200 and mp<=100 and mw>=100


=> bp>=200 and mp<=100

13749762 BP>=200 K

190968 MP<=100 C

L4 170009 BP>=200 K AND MP<=100 C

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=> l4 and mw>=100


=> l4 not mw<=100

14364 MW<=100

L5 169668 L4 NOT MW<=100

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UNITS in Registry=> help unit The following are the default search units for the property search fields in the REGISTRY File: Property Search Field Default Unit ---------- ------------- ------------ Bioconcentration Factor /BCF none Bioconcentration Factor pH /BCF.PH none Boiling Point /BP deg C Boiling Point Pressure /BP.P deg C Density /DEN g/cm**3 Density Pressure /DEN.P Torr Density Temperature /DEN.T deg C Electric Conductance /ECON Siemens Electric Conductance Temperature /ECON.T deg C Electric Conductivity /ECND S/cm Electric Conductivity Temperature /ECND.T deg C Electric Resistance /ERES ohm Electric Resistance Temperature /ERES.T deg C Electric Resistivity /EREST ohm*cm. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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UNITS in Registry=> help set unitThe unit systems available are: SI, MKS, CGS, STN (commonly usedmetric units), FPS, and ENG (commonly used U.S. Engineering units). The default units for numeric fields in a file are the units in which the file was loaded. You may change the unit for a numeric field byentering "SET UNIT" at an arrow prompt (=>). You will be prompted forthe field codes and units that you want to change. The equal sign(=) is required and unit designations may have no intervening spaces. Examples: => SET UNIT ENTER FIELD CODES AND UNITS OR (END):BP=K => SET UNIT ENTER FIELD CODES AND UNITS OR (END):BP=F DEN=LB/FT**3 => SET UNIT BP=F DEN=LB/FT**3 => set unit all=cgsSET COMMAND COMPLETED => set unit all=stnSET COMMAND COMPLETED

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Search Question: Find the boiling point for sec-butylbenzene.

=> FILE REGISTRY

=> E SEC-BUTYLBENZENE/CN 5

E1 1 SEC-BUTYLASTATINE/CNE2 1 SEC-BUTYLAZINE/CNE3 1 --> SEC-BUTYLBENZENE/CNE4 1 SEC-BUTYLBENZENE CATION RADICAL/CNE5 1 SEC-BUTYLBENZENE CATION(2+)/CN

=> S E3 AND BP/FA

L1 1 SEC-BUTYLBENZENE/CN AND BP/FA

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= > D I D E P R O P

L 1 A N S W E R 1 O F 1 R E G I S T R Y C O P Y R I G H T 2 0 0 3 A C S o n S T NR N 1 3 5 - 9 8 - 8 R E G I S T R YC N B e n z e n e , ( 1 - m e t h y l p r o p y l ) - ( 9 C I ) ( C A I N D E X N A M E )O T H E R C A I N D E X N A M E S :C N B e n z e n e , s e c - b u t y l - ( 8 C I )O T H E R N A M E S :C N ( ± ) - s e c - B u t y l b e n z e n eC N ( - M e t h y l p r o p y l ) b e n z e n eC N ( 1 - M e t h y l p r o p y l ) b e n z e n eC N ( R S ) - 2 - P h e n y l b u t a n eC N 2 - P h e n y l b u t a n eC N N S C 8 4 6 6C N s e c - B u t y l b e n z e n e

E tM e

P h

C H

* * P R O P E R T Y D A T A A V A IL A B L E IN T H E 'P R O P ' F O R M A T * *

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Experimental Properties (EPROP)

PROPERTY (CODE) | VALUE | CONDITION | NOTE=====================+==============+===============+=======Boiling Point (BP) |173 deg C |Press: 751 Torr|(1) ICDensity (DEN) |0.8613 g/cm**3|Temp: 20 deg C |(1) ICRefractive Index (RI)|1.4899 |Temp: 20 deg C |(1) IC

(1) Ovchinnikova, G. K.; Izvestiya Vysshikh UchebnykhZavedenii, Khimiya I Khimicheskaya Tekhnologiya 1980 V23(4)P392-6 CAPLUS

Calculated Properties (CALC)

PROPERTY (CODE) | VALUE |CONDITION | NOTE==========================+==================+==========+=======Bioconc. Factor (BCF) |754 |pH 10 |(1) ACDBoiling Point (BP) |173.3+/-0.0 deg C |760.0 Torr|(1) ACDEnthalpy of Vap. (HVAP) |39.29+/-0.8 kJ/mol| |(1) ACDFlash Point (FP) |45.6+/-0.0 deg C | |(1) ACD

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=> fil reg => 741-745/ld50L1 37 741 KG/KG - 745 KG/KG /LD50 => l1(p)mouse/ld50.orgn 1223 MOUSE/LD50.ORGNL2 24 L1(P)MOUSE/LD50.ORGN => d hit L2 ANSWER 1 OF 24 REGISTRY COPYRIGHT 2005 ACS on STN CODE| VALUE | CONDITION | TYPE | NOTE ====+=============+===========+============+=======LD50|>0.0015 kg/kg|Orgn: mouse|Experimental|(1) CAS | |Rte: oral | |

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=> set unit ld50=mg/kgSET COMMAND COMPLETED => 741-745/ld50L3 23 741 MG/KG - 745 MG/KG /LD50 => l3(p)mouse/ld50.orgn 1223 MOUSE/LD50.ORGNL4 11 L3(P)MOUSE/LD50.ORGN => d hit L4 ANSWER 1 OF 11 REGISTRY COPYRIGHT 2005 ACS on STN CODE| VALUE | CONDITION | TYPE | NOTE ====+==========+===========+============+=======LD50|>300 mg/kg|Orgn: mouse|Experimental|(1) CAS | |Rte: oral | |

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=> l4(p)exact/pnt 387289 EXACT/PNTL5 1 L3(P)EXACT/PNT => d hit CODE| VALUE | CONDITION | TYPE | NOTE ====+==========+====================+============+==========LD50|>700 mg/kg|Orgn: mouse |Experimental|(1) CAS | |Rte: intraperitoneal| | (1) Ghate, Manjunath; European Journal of Medicinal Chemistry 2005 V40(9) P882-887 CAPLUS

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=> 100/mpL6 366 100 K /MP => 100 c/mpL7 11756 100 C/MP => l7(p)exact/pnt 387289 EXACT/PNTL8 1395 L7(P)EXACT/PNT => d hit L8 ANSWER 1 OF 1395 REGISTRY COPYRIGHT 2005 ACS on STN CODE| VALUE | CONDITION | TYPE | NOTE ====+=======+=============+============+=======MP |373.2 K|Solv: ethanol|Experimental|(1) CAS

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=> set unit mp=cSET COMMAND COMPLETED => d hit L8 ANSWER 1 OF 1395 REGISTRY COPYRIGHT 2005 ACS on STN CODE| VALUE | CONDITION | TYPE | NOTE ====+=========+=============+============+=======MP |100 deg C|Solv: ethanol|Experimental|(1) CAS | |(64-17-5) | |

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Search Question: Identify compounds isolated from the gardenia flower with the following properties:

•Density 0.94–1.05 gr/cc at 20 °C (Experimental)•bp = 218–287 °C at 1 atm.•mp = 17–18 °C

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Properties in Registry=> fil reg => 218-287/bp and 0.94-1.05/den(p)20/den.t(p)exp?/ptyp and 17-18/mp L1 0 218 K - 287 K /BP AND 0.94 KG/M**3 - 1.05 KG/M**3 /DEN. .

=> help unit The following are the default search units for the property search fields in the REGISTRY File: Property Search Field Default Unit ---------- ------------- ------------ Bioconcentration Factor /BCF none Bioconcentration Factor pH /BCF.PH none Boiling Point /BP deg C Boiling Point Pressure /BP.P deg C Density /DEN Kg/M**3 Density Pressure /DEN.P Torr Density Temperature /DEN.T deg C

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=> set unit den=g/cm**3SET COMMAND COMPLETED

=> set unit den.t=CSET COMMAND COMPLETED

=> set unit mp=cSET COMMAND COMPLETED

=> 218-287 C/bp(p)760 torr/bp.p and 0.94-1.05/den(p)20 c/den.t(p)exp?/ptyp and 17-18 C/mp L6 11 218-287 C/BP . . . . . . . . . .

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=> d qrd CODE| VALUE | CONDITION | TYPE | NOTE ====+========+=============+============+=======BP |376.65 K|Press: 600 Pa|Experimental|(1) IC

CODE| VALUE | TYPE | NOTE ====+===========+============+=======MP |16-17 deg C|Experimental|(1) IC CODE| VALUE | CONDITION | TYPE | NOTE ====+==============+==============+============+=======DEN |0.9722 g/cm**3|Temp: 20 deg C|Experimental|(1) IC

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=> set unit bp.p=torr

SET COMMAND COMPLETED

CODE| VALUE | CONDITION | TYPE | NOTE

====+========+===============+============+=======

BP |376.65 K|Press: 4.5 Torr|Experimental|(1) IC

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=> fil caplus => l6 and gardenia? 26781 L6 948 GARDENIA?L7 8 L6 AND GARDENIA? => sel hit rn SmartSELECT INITIATED New TRANSFER and ANALYZE Commands Now AvailableSee HELP TRANSFER and HELP ANALYZE for Details L8 SEL L7 1- RN HIT : 3 TERMS => fil reg => l8L9 3 L8

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Search Question: Find compounds containing the followingsubstructure, which are biologically active:

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= > F I L E R E G I S T R Y

= >L 1 S T R U C T U R E U P L O A D E D

= > D L 1

L 1 S T RN

N

N

O

C H 2C H 2

C H 2N

N

= > S L 1 S S S S A ML 2 5 S E A S S S S A M L 1

= > S L 1 S S S F U L LL 3 9 0 S E A S S S F U L L 1

Side groups were eliminated to makethe structure more general. The triazole ring was isolated.

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=> S L3 AND LIPINSKI/CALC

13637444 0-5/HD 13042269 0-10/HAC 10767381 LOGP <= 5 11517767 0-500/MW 9280086 LIPINSKI/CALC (0-5/HD AND 0-10/HAC AND LOGP <= 5 AND 0-

500/MW)L4 25 L3 AND LIPINSKI/CALC

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= > D Q R D

L 4 A N S W E R 1 O F 2 5 R E G I S T R Y C O P Y R I G H T 2 0 0 3 A C S o n S T NR N 5 4 4 4 3 6 - 1 9 - 3 R E G I S T R Y

( C H 2 ) 3

E t

A c

C lO H

NNN

N

ON

H y d r o g e n D o n o r s ( H D ) H y d r o g e n A c c e p t o r s ( H A C )

C O D E | V A L U E | N O T E C O D E | V A L U E | N O T E= = = = + = = = = = + = = = = = = = = = = = + = = = = = + = = = = = = =H A C | 8 | ( 1 ) A C D H D | 1 | ( 1 ) A C D

···

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Spectra

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Properties in Registry=> e a/spec

**** START OF FIELD ****

E2 80227 13/SPEC

E3 0 --> A/SPEC

E4 16351 ABSORPTION/SPEC

E5 80227 CARBON/SPEC

E6 E6 8022780227 CARBON-13 NMR SPECTRA/SPEC CARBON-13 NMR SPECTRA/SPEC

E7 16351 IR/SPEC

E8 E8 1635116351 IR ABSORPTION SPECTRA/SPEC IR ABSORPTION SPECTRA/SPEC

E9 16351 IR SPECTRA/SPEC

E10 80227 NMR/SPEC

E11 80227 NMR SPECTRA/SPEC

E12 90835 SPECTRA/SPEC

**** END OF FIELD ****

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=> e6L1 80227 "CARBON-13 NMR SPECTRA"/SPEC => help dfields . . . . . . . . . . . . . . . . . SPEC Spectra SPEC.C13NMR Carbon-13 NMR Spectra SPEC.IR IR Absorption Spectra => d spec

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=> d eprops L1 ANSWER 1 OF 80227 REGISTRY COPYRIGHT 2006 ACS on STN Experimental Properties (EPROP) PROPERTY (CODE) | VALUE | NOTE =====================+========+==========Carbon-13 NMR Spectra|Spectrum|(1) WSS (1) Spectral data were obtained from Wiley Subscription Services, Inc. (US) Experimental Property Tags (ETAG) PROPERTY | NOTE ==================+=======Proton NMR Spectra|(1) CAS (1) Yu, Jiangbo; Inorganic Chemistry 2005 V44(5) P1611-1618 CAPLUS


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=> e8L2 16351 "IR ABSORPTION SPECTRA"/SPEC => d spec

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Experimental property data tags (/ETAG)

Properties in Registry/CAPlus

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Beginning March 20th, 2005, over 2 million substances in REGISTRY will be

enriched with “tags” pointing to additional experimental data.

186 CAS data tags (includes 13 existing) 38 InfoChem data tags

Tags point to CA references Many charts, spectra, & tables are referenced Experimental property tags allow you to navigate from REGISTRY to the

document where the property was reported


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Experimental property data tags


=> e a/etag**** START OF FIELD ****. . . . . . . . . . . . . .E5 2961 ACID/BASE DISSOCIATION CONSTANT (KA/KB)/ETAG. . . . . . . . . . . . . . E18 2952 BORON-11 NMR SPECTRA/ETAG. . . . . . . . . . . . . .E33 65766 CRYSTAL STRUCTURE/ETAG. . . . . . . . . . . . . .E57 10340 ESR SPECTRA/ETAG. . . . . . . . . . . . . .E88 588673 IR ABSORPTION SPECTRA/ETAG. . . . . . . . . . . . . . E110 561130 MASS SPECTRA/ETAG. . . . . . . . . . . . . . => s e5L1 2961 "ACID/BASE DISSOCIATION CONSTANT (KA/KB)"/ETAG

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=> d prop

Experimental Property Tags (ETAG) PROPERTY | NOTE =======================================+=======Acid/Base Dissociation Constant (Ka/Kb)|(1) CASCarbon-13 NMR Spectra |(1) CASProton NMR Spectra |(1) CAS (1) Jaszberenyi, Z.; Dalton Transactions 2005(4) P694-701 CAPLUSJaszberenyi, Z.; Dalton Transactions 2005(4) P694-701 CAPLUS Predicted Properties (PPROP) PROPERTY (CODE) | VALUE | CONDITION | NOTE ============================+===================+===========+=======Bioconc. Factor (BCF) |1.03 |pH 1 |(1) ACD. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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ANSWER 1 CAPLUS COPYRIGHT 2006 ACS on STN ACCESSION NUMBER: 2005:38254 CAPLUS Full-textDOCUMENT NUMBER: 143:306245TITLE: Synthesis and determination of acid dissociation constants of some new 4,5-dihydro-1H-1,2,4-triazol-5- one derivativesAUTHOR(S): Yueksek, Haydar; Bahceci, Sule; Ocak, Zafer; Oezdemir, Mustafa; Ocak, Mirac; Ermis, Burhan; Mutlu, TolgaCORPORATE SOURCE: Department of Chemistry, Kafkas University, Kars, 36100, Turk.SOURCE: Asian Journal of Chemistry (2005), 17(1), 195-201 CODEN: AJCHEW; ISSN: 0970-7077PUBLISHER: Asian Journal of ChemistryDOCUMENT TYPE: JournalLANGUAGE: English

http://chemport.cas.org/cgi-bin/ex_sdcgi?E97b3WxikWd6BwE@LHmqTzhSPDQMYd86HlIda3YFmUzBPl7u067ZsShYWDVJaTSLaI60qAzTZa93OUhgCm1pyz__a5yVQD4DAUA_aVlFxdz3qMi8LpsWHcA7CMy9cOm59@AkaVl5@Mz6RNWjCtmykpj3dBH_3EmogCe2XHzYW0tyZa6T1F78bH_2P5S8Do4

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Search Question: Find the Young’s modulus of alumina.

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=> fil reg => e young/etagE1 698 X-RAY SCATTERING/ETAGE2 2310 X-RAY SPECTRA/ETAGE3 0 --> YOUNG/ETAGE4 3260 YOUNG'S MODULUS/ETAG**** END OF FIELD **** => alumina/cnL1 1 ALUMINA/CN => l1 and e4 3260 "YOUNG'S MODULUS"/ETAGL2 1 L1 AND "YOUNG'S MODULUS"/ETAG


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=> d qrd L2 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2006 ACS on STN RN 1344-28-1 REGISTRYED Entered STN: 16 Nov 1984CN Aluminum oxide (Al2O3) (8CI, 9CI) (CA INDEX NAME). . . . . . . . . . . . . . . . . . . . . . .Experimental Property Tags (ETAG) PROPERTY | NOTE ===============+========Young's Modulus| (1) CASYoung's Modulus| (2) CAS. . . . . . . . . . . . . . . (1) Neagu, R.; Key Engineering Materials 2004 V264-268(Pt. 2, Euro Ceramics VIII) P1087-1090 CAPLUS


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=> FIL CAPLUS => D ACC 2004:653081 IBIB ANSWER 1 CAPLUS COPYRIGHT 2006 ACS on STN ACCESSION NUMBER: 2004:653081 CAPLUS Full-textDOCUMENT NUMBER: 141:247149TITLE: Non-destructive method for impact resisting alumina composites characterizationAUTHOR(S): Neagu, R.; Motoc, S.; Volceanov, E.; Gurban, A. M.; Motoc, A. M.CORPORATE SOURCE: Dept. of Refractory Materials, Metallurgical Research Institute ICEM SA, Bucharest, Rom.SOURCE: Key Engineering Materials (2004), 264-268(Pt. 2, Euro Ceramics VIII), 1087-1090 CODEN: KEMAEY; ISSN: 1013-9826PUBLISHER: Trans Tech Publications Ltd.DOCUMENT TYPE: JournalLANGUAGE: English


http://chemport.cas.org/cgi-bin/ex_sdcgi?H9SbDShi7MSqPVx9huV8riZWfRIJrDZ6fRmSMSVO2YIQDnlo1XmrDSwvfG37rZlcVIW6qfvE@PwSjnKEYzqQOiN7ePy7Kdbs9mefWijKrAI3ZYl2uVnr8cvJlR6Kl@h5_9@fJPmxD9WinDKbVh7I8RSY3IYmjYMajphIA3cA5wr7yrZJMxEH7DHW_vYIJajz

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Find pka of Camphorsulfonic acid (3144-16-9)

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=> fil reg=> 3144-16-9L1 1 3144-16-9 (3144-16-9/RN) => d prop

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Experimental Property Tags (ETAG) PROPERTY | NOTE ====================================================+=======Dielectric Constant |(1) CASElectric Current-Potential Curve |(2) CASIR Reflectance Spectra |(1) CAS 1 more tag shown in the MAX or ETAGFULL formats|Optical Rotatory Power |(3) CAS 1 more tag shown in the MAX or ETAGFULL formats|Partition Coefficient |(4) ICUV and Visible Absorption Spectra |(2) CASX-Ray Reflectance Spectra

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Predicted Properties (PPROP) PROPERTY (CODE) | VALUE | CONDITION |NOTE=============================+====================+================+====. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . PKA (PKA) |1.17+/-0.50 |Most Acidic |(1) | |298 K |

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=> fil caplus => l1(l)prp/rl L2 213 L1(L)PRP/RL => l2 and pka L3 2 L2 AND PKA


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AN 1981:36188 CAPLUS Full-textDN 94:36188TI Therapeutic doses and physicochemical constants of bases and acidsAU Volpi, A.; Toffoli, F.CS Farm. "Al Moro", Mantua, ItalySO Bollettino Chimico Farmaceutico (1979), 118(10), 594-609 CODEN: BCFAAI; ISSN: 0006-6648DT JournalLA Italian


http://chemport.cas.org/cgi-bin/ex_sdcgi?geRf@qYCUynSOaow1v3xnPL6e_hUQyJov9P02mxdJtPyjEXwaAx7LZLx@r9f5ZWq3LSaxOVxQ2QmBMHenJ57aPNEu4jUY4zcrGOh2UvQTcPbGzT41FOGMJeXB3jK_@QNe2OP25vs29PPtApTil7alqhbKOLNMoujyn@XvQLQXKsj7Jg5LpxnqLN_eaZJrvz

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AB A study of .apprx.100 acidic and basic drugs showed the following relation: log1/D is a function of (log 1/Ka)(log1/S), where D is the av. max. dose for adults (expressed in moles), Ka is the dissocn. const. of the protonated form of the compd., whether acid or base, and S is a soly. parameter inversely proportional to the thermodn. activity coeff., , of the undissocd. mol. in dil. aq. soln. More commonly expressed, with p being the neg. logarithm, pD is a function of ( pKa )(pS). A plot of pD vs. (pKa )(pS) gave a hyperbola, the 2 arms of which were nearly straight lines.


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BEILSTEIN

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About 10 Million substances About 9 Million reactions 1.8 Million Citations from 1771 till today

BEILSTEIN

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BEILSTEIN

1771-1959 - Comprehensive organic journal coverage with patent coverage from 1869.

1960-1979 - Patents & 2,000 journals selectively reviewed.

1980-1994 - Started with 80 journals increasing to 120 journals.

1995+ - Increased to 180 journals, especially adding ecotox and pharmacology coverage.

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Two file segments:

Substance segmentSubstance Identification Data and Facts

Reaction segmentReactions

BEILSTEIN

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Connection between file segments

Substance identification

data and facts

Reactions

BEILSTEIN

Substance segment

Reaction segmentRX.RBRN/

RX.PBRN also Accession Number (BRN) of the substance

BEILSTEIN

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Substance segment Reaction Segment

•Substance idenitfying Information •Reaction Identification Data

•Chemical Data •Reaction Details

•Electrical and Magnetic Properties

•Electrochemical Behaviour

•Physical and Mechanical Properties

•Multi-Component Systems

•Optical Properties

•Pharmacological and Ecological Data

•Safety Data

•State of Aggregation

•Thermodynamic Properties

•Transport Phenomena

BEILSTEIN

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Substance Identification

Chemical Data

EcoPharm Data

Physical Properties

Bibliographic Data

BEILSTEIN

Substance segment

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BEILSTEIN

Substance Identification

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• Beilstein Registry Number (/BRN)

• CAS Registry Number (/RN)

• Chemical Name (/CN)

• Chemical Name Segment (/CNS)

• AUTONOM Name (/AUN)

• Lawson Number (/LN)

• Molecular Formula (/MF)

BEILSTEIN

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Molecular Formula (/MF)

•Number of Atoms (/ATC)

•Element Count (/ELC)

•Specific Element Count (/Fe, /N numeric)

•Element Symbol (/ELS)

•Periodic Group (/PG)

•Fragment Molecular Formula (/FMF)

•Formula Weight (/FW)

•Number of Fragments (/NF)

BEILSTEIN

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=> fil beil=> (2,3-dimethyl-oxirane)/cnsL1 325 (2,3-DIMETHYL-OXIRANE)/CNS ((2(W)3(W)DIMETHYL(W)OXIRANE)/CNS) => l1 and c4h8o/mf 138 C4H8O/MFL2 11 L1 AND C4H8O/MF => d L2 ANSWER 1 OF 11 BEILSTEIN COPYRIGHT 2003 BEILSTEIN CDS MDL on STN Beilstein Records (BRN): 8255396 Chemical Name (CN): cis-2,3-dimethyloxirane Autonom Name (AUN): 2,3-dimethyl-oxirane Molec. Formula (MF): C4 H8 O Molecular Weight (MW): 72.11 Lawson Number (LN): 16791Lawson Number (LN): 16791 File Segment (FS): Stereo compoundFile Segment (FS): Stereo compound Compound Type (CTYPE): heterocyclicCompound Type (CTYPE): heterocyclic Constitution ID (CONSID): 1003Constitution ID (CONSID): 1003 Tautomer ID (TAUTID): 7782995Tautomer ID (TAUTID): 7782995 Entry Date (DED): 2000/03/03 Update Date (DUPD): 2000/03/03

O

BEILSTEIN

81

BEILSTEIN

=> fil reg=> naproxen/cnL1 1 NAPROXEN/CN => fil beilstein=> naproxen/cnL2 4 NAPROXEN/CN => d 1-4 str consid

82

BEILSTEIN

(CONSID):2460061

C* O

O

O

C*

O

O

O

(CONSID):1934942

O

O

O

(CONSID):2460061

C*

OO

O

(BRN):5867613 (BRN):3591067

(BRN):2729798 (BRN):3591068

83

BEILSTEIN

=> 2460061/considL3 2 2460061/CONSID => 1934942/considL4 5 1934942/CONSID

O

OO

(BRN):6480582

O

OO

(BRN):4233183

C*

O

O

O

(BRN):3591069 C*

O

O

O

(BRN):3591067 O

O

O

(BRN):2114551

84

BEILSTEIN=> acetamide/cnL5 4 ACETAMIDE/CN => d 1-4 str tautid

ON-

(TAUTID):3363996

O

N

(TAUTID):1781946

O

N

(TAUTID):966565

O+

N

85

BEILSTEIN=> 3363996/tautidL6 3 3363996/TAUTID => d 1-3 str

O-

NO

N-

O

N-

86

BEILSTEIN

=> 1781946/tautidL7 1 1781946/TAUTID => 966565/tautidL8 2 966565/TAUTID => d 1-2 str

ONO

N

87

BEILSTEIN=> e a/fs**** START OF FIELD ****E3 0 --> A/FSE4 535986 RACEMATE/FSE5 12413 RELATIVE CONFIGURATION/FSE6 3437207 STEREO COMPOUND/FS**** END OF FIELD ****

=> e a/ctype**** START OF FIELD ****E7 0 --> A/CTYPEE8 778089 ACYCLIC/CTYPEE9 21319 BIOMOLECULE/CTYPEE10 4738643 HETEROCYCLIC/CTYPEE11 3197206 ISOCYCLIC/CTYPEE12 1771 MIXTURE (COMPOSITION COMPLETELY GIVEN)/CTYPEE13 9595 MIXTURE (COMPOSITION NOT GIVEN)/CTYPEE14 12910 MIXTURE (COMPOSITION PARTIALLY GIVEN)/CTYPEE15 8349 POLYMER (MONOMERS GIVEN)/CTYPEE16 5427 POLYMER (MONOMERS NOT GIVEN)/CTYPE**** END OF FIELD ****

88

BEILSTEIN

=> 16791/lnL8 96 16791/LN => d L8 ANSWER 1 OF 96 BEILSTEIN COPYRIGHT 2005 BEILSTEIN MDL on STN . . . . . . . . . . . . . . Lawson Number (LN): 16791. . . . . . . . . . . . . . . . . . . . .

O

NNNN

NN

89

BEILSTEIN

F

F

OC*

C*

O

Cl

I

O

C*C*

O

C

Br

Lawson Number (LN):16791

90

BEILSTEIN

Chemical Data

91

• Reactions (/RX): (separate File Segment “Reaction Data“)

• Related Structure (/RSTR)

• Isolation From Natural Products (/INP)

• Chemical Derivative (/CDER)

• Purification (/PUR)

• Other Source (/OS)

BEILSTEIN

92

BEILSTEIN

Find preparation of Aspirin

93

BEILSTEIN=> aspirin/cnL1 1 ASPIRIN/CN => d fa L1 ANSWER 1 OF 1 BEILSTEIN COPYRIGHT 2005 BEILSTEIN MDL on STN Field Availability: Code Name Occurrence ====================================================== BRN Beilstein Records 1 BPR Beilstein Preferred RN 1 RN CAS Registry Number 1 CN Chemical Name 7 AUN Autonomname 1 MF Molecular Formula 1 FW Formular Weight 1 LN Lawson Number 2 CTYPE Compound Type 1 CONSID Constitution ID 1 TAUTID Tautomer ID 1

94

BEILSTEIN BSO Beilstein Citation 7 ED Entry Date 1 UPD Update Date 1 ADSM Adsorption (MCS) 11 ASSM Association (MCS) 52 CDEN Density (Crystal) 11 CDER Chemical Derivative 26 CMP Compressibility 1 CNF Conformation 1 COEV Concentration in Environment 2 CPD Crystal Property Description 2 CRYPH Crystal Phase 23 CSG Crystal Space Group 2 CSYS Crystal System 3 CTP Crystal Transition Point 1 CV Heat Capacity Cv 1 DE Dissociation Exponent 18 DEN Density (Liquid) 22 DIC Dielectric Constant 1 DM Dipole Moment 3 DP Decomposition Point 1 ECDH Abiotic Degradation, Hydrolysis 1 ECTOX Ecotoxicology 26

95

BEILSTEIN ELCB Electrochemical Behaviour 7 ELE Electrical Data (MCS) 1 ENEM Energy Data (MCS) 2 FINFO Further Information 2 FLU Fluorescence 4 GEO Interatomic Distanc and Angle 3 HCOM Enthalpy of Combustion 1 HFOR Enthalpy of Formation 1 HFUS Enthalpy of Fusion 1 HVAP Enthalpy of Vaporization 1 IR Infrared Spectrum 21 LIQPH Liquid Phase 1 LLSM Liquid/Liquid System (MCS) 22 LSSM Liquid/Solid System (MCS) 11 MEC Mechanical Property 4 MECM Mechanical & Physical Property (MCS) 3 MP Melting Point 43 MS Mass Spectrum 3 NMR Nuclear Magnetic Resonance 15 OPT Optics 1 OTHE Other Thermochemical Data 7 PHARM Pharmacological Data 996

96

BEILSTEIN PHO Phosphorescence 1 POL Electrical Polarizability 1 POT Electrochemical Characteristics 2 POW Partition octan-1-ol/water (MCS 4 PUR Purification 1 RAS Raman Spectrum 5 RI Refractive Index 2 SLB Solubility (MCS) 22 SOLM Solution Behaviour (MCS) 13 ST Surface Tension 1 TRAM Transport Phenomena (MCS) 4 TRAN Transport Data 1 USC Use of Compound 4 UVS UV and Visible Spectrum 23 XREF Crossfile Reference 13

97

BEILSTEIN

This substance also occurs in Reaction Documents: Code Name Occurrence ====================================================== RX Reaction Documents 279 RXREA Substance is Reaction Reactant 200 RXPRO Substance is Reaction Product (Prep.) 79RXPRO Substance is Reaction Product (Prep.) 79

=> d rxpro 1

98

BEILSTEIN

Find information on the products isolation from the Chinese herb Quinghaosu (Artemisia annua).

Isolation From Natural Products (/INP)

99

BEILSTEIN

=> e quinghaosu/inpE1 7 QUINCYTE/INPE2 5 QUINGHAI/INPE3 0 --> QUINGHAOSU/INP

100

BEILSTEIN

=> e artemisia annua/inpE13 9 ARTEMISA/INPE14 1631 ARTEMISIA/INPE15 0 --> ARTEMISIA ANNUA/INP => artemisia annua/inp 1631 ARTEMISIA/INP 188 ANNUA/INPL1 119 ARTEMISIA ANNUA/INP ((ARTEMISIA(W)ANNUA)/INP) => d (Default Display, QQuery RRelated DData, QRDQRD)

101

BEILSTEIN Beilstein Records (BRN): 9339193 Chemical Name (CN): dihydro-epideoxyarteannuin B . . . . . . . . . . . . . .

Field Availability: Code Name Occurrence ====================================================== . . . . . . . . . . . . . . . . . . . . . . . . . . .

C*

C*

C*O

C*

C

C*

C

C

O

H

102

BEILSTEIN

Isolation from Natural Product:INP (INP): Artemisia annua L. leaves Reference(s): 1. Foglio, Mary Ann; Dias, Patricia Correa; Antonio, Marcia Aparecida; Possenti, Ana; Rodrigues, Rodney Alexandre F.; Silva, Erica Ferreira da; Rehder, Vera Lucia Garcia; Carvalho, Joao Ernesto de, Planta Med., CODEN: PLMEAA, 68, <2002>, 515 - 518; BABS- 6381782

103

BEILSTEIN

EcoPharm Data

104

PharmEco Data (PED)

Influence and chemical behavior of substances in the environment, which comprises man, animal and plant as well as the complex ecosystems air, soil and water

BEILSTEIN

105

Pharmacological Data* (PHARM)

Ecological Data (ECO)

Use (USC)

* Including Toxicological Data

BEILSTEIN

PharmEco Data (PED)

106

Pharmacological Data (PHARM)

Human/mammalian pharmacologyTherapeutic effects, pharmacokinetics, pharmacodynamics

Human/mammalian toxicologyEmpirical data (e.g. LD50), evaluated and classified data, regulations for handling, storage, transport etc., risk assessment

BEILSTEIN

107

BEILSTEIN

Pharmacological Data (PHARM)Pharmacological and Toxicological Data

Effect /PHARM.E

Species or Test system /PHARM.SP

Route of Application /PHARM.RA

Type /PHARM.TYP

Value /PHARM.V

Result /PHARM.RE

Metabolite /PHARM.META

Method /PHARM.MR

108

BEILSTEIN

Find information on the use of the Chinese herb Quinghaosu (Artemisia annua) against malaria.

109

=> artemisia annua and antimalar?/pharm.e L1 6 ARTEMISIA ANNUA AND ANTIMALAR?/PHARM.E => D (Default Display, QQuery RRelated DData, QRDQRD)

BEILSTEIN

110

BEILSTEIN Beilstein Records (BRN): 9339193 Chemical Name (CN): dihydro-epideoxyarteannuin B . . . . . . . . . . . . . .

Field Availability: Code Name Occurrence ====================================================== . . . . . . . . . . . . . . . . . . . . . . . . . . .

C*

C*

C*O

C*

C

C*

C

C

O

H

111

BEILSTEIN

Pharmacological Data:PHARM Effect (.E): antimalarial Endpoint of Effect (.EP): <3H>hypoxanthine incorporation Species or Test-System (.SP): Plasmodium falciparum 3D7R/actD2.3 strain Concentration (.C): Ca. 0.01 - 5 .my.mol/l Method, Remarks (.MR): parasitized RBCs of 1E-1 percent

112


Effects and interactions of compounds with living and non-living nature

Influence on ecosystems (air, soil, water)

Behavior in the environment (distribution, accumulation potential, transformation)

BEILSTEIN

113

Laboratory Use and Handling (USC)

Use of the substance in preparative chemistry and laboratory

Application or handling of the substance

BEILSTEIN

114

BEILSTEIN

=> e pharm/fa

. . . . . . .E3 505614 --> PHARM/FAE4 505614 PHARMACOLOGICAL DATA/FA. . . . . . .

The Field Pharm is searchable

115

BEILSTEIN

The field Eco is not searchable (but is displayable)

=> e eco/fa. . . . . . . .E15 0 --> ECO/FAE16 1816 ECOLOGICAL MOBILITY/FAE17 19660 ECOTOXICOLOGY/FAE18 577 ECS/FAE19 1816 ECTD/FAE20 19660 ECTOX/FA

116

Biodegradation (BIOD)

Abiotic Degradation, Hydrolysis (ECDH)

Abiotic Degradation, Photolysis (ECDP)

Stability in Soil (ECS)

Oxygen Demand (EOD)

Biological Behaviour (BIO)

Ecological Mobility: Transport and Distribution (ECTD)

Ecotoxicology (ECTOX)

Exposure Assessment (EXCA)

Concentration in Environment (COEV)

BEILSTEIN

Ecological Data searchable fields

=> D ECO displays all available ecological data

117

BEILSTEIN

=> e usc/fa. . . . . .E27 14342 --> USC/FAE28 14342 USE OF COMPOUND/FA

The field USC is searchable

118

Pharmacological Data (PHARM)


Use (USC)

But there are many other sub.fields

BEILSTEIN

In PharmEco Data (PED) the main fields are:

119

Basic Index Pharmacological and Ecological Data (/BIPED)

All fields from PharmEco data are inside:

BEILSTEIN

120

BEILSTEIN

=> S ENDOCRINE/BIPED

L7 151 ENDOCRINE/BIPED=> D HITL1 ANSWER 1 OF 151 BEILSTEIN COPYRIGHT 2002 BEILSTEIN CDS MDLECTOX Effect: endocrine system effects Species or Test-System: Carassius auratus gibelio, Crucian Carp Sex: male and female Exposure Period: 2 week(s) Method, Remarks: 200/sex one-year old fish with ca. 12-15 cm lenght and 150 g body weight; temperature of water 20 deg C; 12:12 light-dark rhythm; fed daily with commercial fish pellets; test solution water changed every other day; fish

...

Basic Index Pharmacological and Ecological Data (/BIPED)

121

BEILSTEIN

Find toxicological data for nitrofen

122

BEILSTEIN

=> S NITROFEN/CNL1 1 NITROFEN/CN

=> D

L1 ANSWER 1 OF 1 BEILSTEIN COPYRIGHT 2002 BEILSTEIN CDS MDL Beilstein Records (BRN): 1887356 Beilstein Pref. RN (BPR): 1836-75-5 CAS Reg. No. (RN): 1836-75-5 Chemical Name (CN): (2,4-dichloro-phenyl)-(4-nitro-phenyl)- ether, nitrofen Molec. Formula (MF): C12 H7 Cl2 N O3 Molecular Weight (MW): 284.10 Lawson Number (LN): 5221, 5220 Compound Type (CTYPE): isocyclic ...

O

Cl

Cl

NO O

123

BEILSTEIN => D PHARM L1 ANSWER 1 OF 1 BEILSTEIN COPYRIGHT 2002 BEILSTEIN CDS MDL Pharmacological Data:PHARM Effect (.E): mutagenic (microorganism) Species or Test-System (.SP): Escherichia coli, strain WP2s (lambda) Concentration (.C): 0.279 - 35.71 mmol/l . . .PHARM Effect (.E): cytotoxicity Species or Test-System (.SP): hepatocytes from Wistar rat . . .

124

BEILSTEIN

Find effects of the bioaccumulative

substance octachlorostyrene on the

food chain.

125

BEILSTEIN

=> S OCTACHLOROSTYRENE/CNL1 1 OCTACHLOROSTYRENE/CN

=> D L1 ANSWER 1 OF 1 BEILSTEIN COPYRIGHT 2002 BEILSTEIN CDS Beilstein Records (BRN): 2057011 Beilstein Pref. RN (BPR): 29082-74-4 CAS Reg. No. (RN): 29082-74-4 Chemical Name (CN): octachlorostyrene Autonom Name (AUN): 1,2,3,4,5-pentachloro- 6-trichlorovinyl- benzene Molec. Formula (MF): C8 Cl8 Molecular Weight (MW): 379.71 Lawson Number (LN): 4204 ...

Cl

Cl Cl

Cl

Cl

Cl

Cl

Cl

126

BEILSTEIN => d fa Field Availability: Code Name Occurrence ====================================================== BRN Beilstein Records 1 BPR Beilstein Preferred RN 1 RN CAS Registry Number 1 CN Chemical Name 1 AUN Autonomname 1 MF Molecular Formula 1 FW Formular Weight 1 LN Lawson Number 1 CTYPE Compound Type 1 CONSID Constitution ID 1 TAUTID Tautomer ID 1 BSO Beilstein Citation 2 ED Entry Date 1 UPD Update Date 1 BIO Biological Behaviour 2 ...

Biological Behaviour (BIO)

Content: Accumulation potentials for living organisms.

127

BEILSTEIN

=> D BIO L1 ANSWER 1 OF 1 BEILSTEIN COPYRIGHT 2002 BEILSTEIN CDS MDL Biological Behaviour:BIO Species: fish Method, Remarks: bioconcentration/bioaccumulation factors (BCF/BAFs) for title comp. were calculated from measurements in fish; the study was performed to provide a scientific basis for title comp. criteria in international negotiations Biomagnification: diagram of the logarithm of BCF/BAFs of title comp. versus their estimated half-life in soil was presented Reference(s): 1. Rodan, Bruce D.; Pennington, David W.; Eckley, Noelle; Boethling, Robert S., Environ.Sci.Technol., CODEN: ESTHAG, 33(20), <1999>, 3482 - 3488; BABS-6226128

Display Biological Data

128

BEILSTEIN

BIO Species: Anguilla anguilla, yellow eel Media: water Concentration: 650 .my.g/kg Exposure Period: 2989 day(s) Elimination Half-Life Time: 790 day(s) Elimination Rate Constant: 0.0009 per day Method, Remarks: 8 years study; eels from the river Rhine (Netherlands) were transferred to Lake Milligensteeg (northeastern part of Netherlands), a relative clean lake; conc. after 2989 d: 14 .my.g/kg wet weight; body burden (.my.g/eel): 24 at 0 day, 3.2 after 2989 d Reference(s): 1. Boer, Jacob de; Valk, Frank van der; Kerkhoff, Mia A. T.; Hagel, Paul; Brinkman, Udo A. Th., Environ.Sci.Technol., CODEN: ESTHAG, 28(13), <1994>, 2242 - 2248; BABS-6200021

129

BEILSTEIN=> fil beil => pananotin/cnL1 1 PANANOTIN/CN => d pharm L1 ANSWER 1 OF 1 BEILSTEIN COPYRIGHT 2003 BEILSTEIN CDS MDL on STN Pharmacological Data:PHARM Effect (.E): antifungal Species or Test-System (.SP): Coprinus comatus Concentration (.C): 8 - 40 .my.g Method, Remarks (.MR): in vitro; potato dextrose agar; 27 deg C Type (.TYP): IC50 Value of Type (.V): 100 nmol/l Reference(s): 1. Lam, S. K.; Ng, T. B., Planta Med., CODEN: PLMEAA, 68(11), <2002>, 1024 - 1028; BABS-6376347. . . . . . . . . . . . . . . . . . . . . Reference(s): 1. Lam, S. K.; Ng, T. B., Planta Med., CODEN: PLMEAA, 68(11), <2002>, 1024 - 1028; BABS-6376347BABS-6376347

130

BEILSTEIN

=> fil babs FILE COVERS 1980 TO DATE. => 6376347/anL2 1 6376347/AN => d all L2 ANSWER 1 OF 1 BABS COPYRIGHT 2003 BEILSTEIN CDS MDLI on STN AN 6376347 BABS Full-textTI Pananotin, a Potent Antifungal Protein from Roots of the Traditional Chinese Medicinal Herb Panax notoginsengAU Lam, S. K.; Ng, T. B.SO Planta Med. (2002), 68(11), 1024 - 1028 CODEN: PLMEAADT JournalLA EnglishSL EnglishAB The roots of the sanchi ginseng, Panax notoginseng, were . . .CT Panax notoginseng; Araliaceae; antifungal protein; pananotin

http://chemport.cas.org/cgi-bin/ex_sdcgi?rfp3pN2FdEoZp1t1je49@NStSpkkU50tO1ZeoaX1wkKNECfTlKTST4rTXuN4xro0@4LiCpq1qdKa@kBE3TjpUp1JkgF6xBIAVooy21OXMvzJEj9BhdMjfXfeeL9ixd2GAkumJ8TT@eYESa2HhhN9TRs4s8JwT_ckKmNBHgt

131

Skills Practice

SEARCH:Compounds which have endocrine effects in the environment=> endocrine/ectox.eDegradation products of benzo[a]pyrene (bap) in the environment=>bap/cn; d fbiod,ecdh,ecdp (or => d eco)Effects of the bioaccumulative substance octachlorostyrene=>octachlorostyrene/cn and bioacc?/biped (or and bio/fa)Toxic effects of cytotoxines=>cytotoxin? and pharm/faToxicity of benzene to fish=>Benzene/cn and (tox?(p)fish)/ectox.e (or (tox?(p)fish)/biped))Adverse effects of ibuprofen=>Ibuprofen/cn and pharm/fa;d pharm

132

BEILSTEIN

Physical Properties

133

BEILSTEIN

• Electrical and Magnetic Properties (ELEP) • Electrochemical Behavior (ECB)• Physical and Mechanical Properties (MECP)• Optical Properties (OPTP)• Safety Data (SF)• Spectroscopic Data (SPE)• Structure and Energy Parameter (SEP)• State of Aggregation (SAG)• Thermodynamic Properties (THE)• Transport Phenomena (TRA)• Multi-Component Systems (MCS)

Physical Data

134

BEILSTEIN

• ESR (ESR)• Fluorescence (FLU)• Infrared Spectrum (IR)• Luminescence (LUM)• Nuclear Magnetic Resonance (NMR)• Nuclear Quadrupole Resonance (NQR)• Phosphorescence (PHO)• Raman Spectrum (RAS)• Rotational Spectrum (ROT)• UV and Visible Spectrum (UVS)

Spectroscopic Data

135

Unit conversion with the STN Units System

Values in default units

may be entered without

unit

Values in numerous other units are converted automatically into the default unit

=> S 0/MPL1 856 0 CEL/MP

=> S 273.15 K/MPL2 856 273.15 K/MP

BEILSTEIN

default units:

°C Celsius

P Torr

136

BEILSTEIN

Use (P)-operator to restrict data to one experiment

Use (P)-operator to combine property values with property conditions

Example You are looking for a substance with a sublimation point of 100 Cel measured at 0.1 Torr.

(P)-operator

137

BEILSTEIN=> S 100/SP (P) 0.1/SP.P 722 100 CEL /SP 771 0.1 TORR /SP.PL1 70 100 CEL /SP (P) 0.1 TORR /SP.P

=> S 100/SP AND 0.1/SP.P 722 100 CEL /SP 771 0.1 TORR /SP.PL2 72 100 CEL /SP AND 0.1 TORR /SP.P

=> S L2 NOT L1L3 2 L2 NOT L1

=> D HIT L3 ANSWER 1 OF 2 BEILSTEIN COPYRIGHT 2002 BEILSTEIN CDS MDL Sublimation Point: Value | Press. |Ref. (SP) | (.P) | (Cel) | (Torr) |============+============+==== 100 | 2.000001 | 1 60 | 0.1 | 2

138

BEILSTEIN

All property field names and associated codes indexed as bound phrase

All keywords indexed as bound phrase

Use field when searching for a matter without knowledge whether it is present as a search field or keyword

Property Hierarchy (/PH)

139

BEILSTEINExample Property Hierarchy (/PH)=> E CRYSTAL/PHE1 1168 CRYOSCOPIC CONSTANT/PHE2 85777 CRYPH/PHE3 0 --> CRYSTAL/PHE4 570 CRYSTAL GROWTH/PHE5 2077 CRYSTAL HABIT/PHE6 855 CRYSTAL MORPHOLOGY/PHE7 85777 CRYSTAL PHASE/PHE8 382655 CRYSTAL PROPERTY DESCRIPTION/PHE9 718 CRYSTAL REFRACTIVE INDICES/PHE10 59656 CRYSTAL SPACE GROUP/PHE11 73856 CRYSTAL STRUCTURE DETERMINATION/PHE12 61031 CRYSTAL SYSTEM/PH

=> EE13 3386 CRYSTAL TRANSITION POINT/PHE14 59656 CSG/PHE15 61031 CSYS/PH

140

BEILSTEIN=> CRYPH/PH

L1 85777 CRYPH/PH

=> CRYSTAL PHASE/PH

L2 85777 CRYSTAL PHASE/PH

=> CRYSTAL PHASE/FA

L3 85777 CRYSTAL PHASE/FA

=> CRYPH/FA

L4 85777 CRYPH/FA

141

BEILSTEIN

Example: Physical properties

Does the ternary system ethanol-benzene-water form an azeotrope and what is the boiling point?

142

BEILSTEINSearch examples physical data - Multicomponent Systems

=> S ETHANOL/CNL1 1 ETHANOL/CN

=> S L1 AND (BENZENE (P) WATER)/AZE.PA 158 BENZENE/AZE.PA 534 WATER/AZE.PA 12 (BENZENE (P) WATER)/AZE.PAL2 1 L1 AND (BENZENE (P) WATER)/AZE.PA

Search for ethanol in the chemical name field. You could start from the other components, and get different results.

Search for benzene and water as Azeotrope Partners

Use (P) operator to concatenate.

143

BEILSTEINSearch examples physical data - Multicomponent Systems

=> D HIT L2 ANSWER 1 OF 1 BEILSTEIN COPYRIGHT 2002 BEILSTEIN CDS MDL Chemical Name (CN): ethanol, Aethanol, ethyl alcohol Autonom Name (AUN): ethanol Azeotrope (MCS): Value | Temp. | Press. |Ref. | Note (AZE.PA) | (.T) | (.P) | | | (Cel) | (Torr) | |=============================+========+============+==========+======= benzene, water | 64.9 | 760 | 1, 2 | 1 water, benzene | 64.9 | 760 | 3 | 1 water, benzene, heptane | | | 4, 5 | 1 water, benzene, isooctane | | | 4, 5 | 1 water, benzene, cyclohexane | | | 6, 7, 8| 1

Display HIT data

144

BEILSTEIN

What is the density of vitamin-c crystals?

Example: Physical properties

145

BEILSTEIN

=> S VITAMIN-C/CN

L1 1 VITAMIN-C/CN

=> D FA

Field Availability: Code Name Occurrence ====================================================== BRN Beilstein Records 1 BPR Beilstein Preferred RN 1

. . . . . . . . . . .

146

BEILSTEIN

BIO Biological Behaviour 1 CDEN Density (Crystal) 4 CDER Chemical Derivative 35 CDIC Circular Dichroism 2 CNF Conformation 2 COEV Concentration in Environment 1 CRYPH Crystal Phase 4 CSG Crystal Space Group 2 CSYS Crystal System 1 DE Dissociation Exponent 31 DEN Density (Liquid) 1 DM Dipole Moment 3 ... MP Melting Point 13 MS Mass Spectrum 3 MSUS Magnetic Susceptibility 1 NMR Nuclear Magnetic Resonance 31 OPT Optics 4 ORD Optical Rotatory Dispersion 8 ...

147

BEILSTEIN=> D CDEN L1 ANSWER 1 OF 1 BEILSTEIN COPYRIGHT 2002 BEILSTEIN CDS MDL Crystal Density: Value |Ref.| Note (CDEN) | | (g/cm**3) | |============+====+======= | 1 | 1.714 | 2 | 1, 2 1.74 | 3 | 2 1.696 | 4 | 2 Reference(s): 1. Hvoslef, Acta Crystallogr.Sect.B, CODEN: ACBCAR, 24, <1968>, 23,24,29-31,33,34 2. Beck, 46, <1943>, 18, 21 3. Cox; Goodwin, J.Chem.Soc., CODEN: JCSOA9, <1936>, 769, 774 4. Armour Research Foundation, Anal.Chem., CODEN: ANCHAM, 20, <1948>, 986 Notes(s):1. bei 8grad.2. Handbook

Display Density (Crystal) data

148

Skills Practice

- What is the pK (dissociation exponent)of β-d-glucose in water?- => .beta.-d-glucose/cn and de/fa and (water or h2o)/de.sol

- Does c10h3f8io4 have a sublimation point?- => c10h3f8io4/mf and sp/fa

- What is the boiling point of nitrofen?- => nitrofen/cn; d bp

- Find vapour pressure of trifluoromethyl-cyclopentane, 50-150 °C- => trifluoromethyl-cyclopentane/cn and 50-150/vp.t

- Find Latent Heat of Vaporization for pyrrolizidine - => pyrrolizidine/cn; d hvap

- Find Cp for fullerene c70 between 100-150 °C - => fullerene c70/cn and 100-150/cp.t

149

HSDB (about 4000 Substances)

MRCK (about 3000 Substances)

RTECS (about 120000 Substances)

MSDS

150

HSDB

151

GROUP NAME SUPER CODESubstance Identification IDEPhysical Properties PHYSToxicity TOXEnvironmental Fate/Exposure ENVRMonitoring and Analytical Methods MONIManufactoring Information MANUFSafety and Handling SAFEPharmacology PHARExposure Standards & Regulations SREG

HSDB

152

Locate safety and toxicity information associated with the octane-enhancing chemical MMT

HSDB

153

=> fil reg

=> mmt/cn

L1 1 MMT/CN

=> d

HSDB

154

L1 ANSWER 1 OF 1. . . .

RN 12108-13-3 REGISTRY

. . . . . . . . . .

CN MMT

. . . . . . . . . .

HSDB

155

LC AGRICOLA,ANABSTR,BIOBUSINESS,BIOSIS,BIOTECHNO,CA, CANCERLIT,CAOLD,CAPLUS,CASREACT,CBNB,CEN,CHEMCATS,CHEMINFORMRX,CHEMLIST,CIN,CSCHEM,CSNB,EMBASE,ENCOMPLIT, ENCOMPLIT2,ENCOMPPAT,ENCOMPPAT2,GMELIN*,HSDB*,IFICDB, IFIPAT,IFIUDB, MEDLINE,MRCK*,MSDS- OHS,NIOSHTIC,PIRA, PROMT,RTECS*,TOXCENTER,TOXLIT,ULIDAT,USPATFULL

(*File contains numerically searchable property data)

Other Sources: DSL**, EINECS**, TSCA**

(**Enter CHEMLIST File for up-to-date regulatory inform.)

HSDB

156

=> fil hsdb

=> l1L2 1 L1 => d

HSDB

157

L2 ANSWER 1 OF 1 HSDB. . . . CAS Registry No. 12108-13-3 . . . . . . . . . . .

Substance Note: This record contains information specific to the title compound. Users with an interest in this substance are strongly encouraged also to retrieve the record named MANGANESE COMPOUNDS, which has additional information relevant to the toxicity and environmental fate of manganese ions and manganese compounds. For information on the metal itself, refer to the MANGANESE, ELEMENTAL record.

HSDB

158

=> d faCode Field Name=============+=============== Substance Identification RN CAS Registry Number . . . . . . . . . . . . . . Manufacturing InformationAPP Application. . . . . . . . . . . . . .

HSDB

159

Safety and Handling CLUP Cleanup MethodDCMP DecompositionDSM Disposal MethodFP Flash PointIRR IrritationOPRM Other Preventative. .PSP Personal Safety. . .REAC Reactivity and. . .

HSDB

160

=> d fp

. . . . . . . . . . . .

Flash Point (FP):Flash point: 96 deg C (closed cup) . . . . . . . . . . . . .

HSDB

161

=> d safe tox . . . . . . . . . . . . .Flash Point (FP): . . . . . . . . . . . . . .Antidote and Emerg.Treat.(ANTR):. . . . . . . . . . . . . . .

HSDB

162

MRCK

163

MRCK

=> l1 and tox/fa

1 L1

2640 TOX/FA

L2 1 L1 AND TOX/FA

=> d Default display is also in this File, QRDQRD

164

L2 ANSWER 1 OF 1 MRCK

MERCK Number (MNO):6307

CAS Registry No. (RN):12108-13-3

MERCK Index Name (MIN):MMT

Molecular Form. (MF):C9H7MnO3

. . . . . . . . . .

MRCK

165

Me

COMn

C

C

C

CHCHCH

CH

O

O

+

-

Toxicity (TOX): LD50 orally in mice, . . .

MRCK

166

RTECS

167

RTECS

=> fil rtecs

=> l1

L2 1 L1

=> d fa

168

Code Field Name

---------+-----------

RN CAS Registry Number

. . . . . . . . . . . . .

IRR Irritation Data

. . . . . . . . . . . . .

TLV Threshold Limit Value

TOX Toxicity Data

. . . . . . . . . . . . .

RTECS

169

=> d irr tox

IRRITATION DATA (IRR):

Route|Organism| Dose |Duration|Effect| Source

RTE | ORGN | DOSE | DUR | EFF | SO

=====+========+======+========+======+==================

skin |rabbit |100 mg|24H |Mild |AEHLAU 30,168,1975

RTECS

170

TOXICITY DATA (TOX):

Effect | Route | Organism | Dose |Duration| Source

EFF | RTE | ORGN | DOSE | DUR | SO

===========+===============+==========+==========+========+==========

|oral |rat |LD50 8 | |TMMT**

| | |mg/kg | |-,-,1976

-----------+---------------+----------+----------+--------+----------

D25;F07;J22|inhalation |rat |LC50 76 |4H |AIHAAP

| | |mg/m**3 | |40,164,197

| | | | |9

-----------+---------------+----------+----------+--------+----------

. . . . . . . . . . . . .

RTECS

171

=> d irrfull toxfull

IRRITATION DATA REFERENCES:AEHLAU Archives of Environmental Health(Heldref

Pub.,4000 Albemarle St.,NW, Washington, DC 20016)

V.1- 1960

RTECS

172

=> help effcodes RTECS has three position. . .

The following Toxic Effects Codesare used in the RTECS File: A Brain and Coverings B Spinal Cord . . . . . . . . . . . .

RTECS

173

=> help f

. . . . . . . . . . . . . .

F BEHAVIORAL

Damage Codes

01 General anesthetic

. . . . . . . . . . . .

RTECS

174

=> e f12/eff

. . . . . . . . . . . . .

E3 8854 --> F12/EFF

E4 8854 F12 (CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD)/EFF

. . . . . . . . . . . . .

RTECS

175

MSDS

176

MSDS

File MSDS-CCOHS

about 120000 records(33% in French)from companies (USA, Canadian).Usefull for suppliers

File MSDS-OHS

about 55000 substances from US

Occupational Healt Services

177

=> file msds-ohs

=> l1

L2 2 L1

=> d kwic 1-2

MSDS

178

L2 ANSWER 1 OF 2 MSDS-OHS

RN 8006-61-9; 71-43-2; 1634-04-4;

64-17-5; 78-00-2; 12108-13-3

L2 ANSWER 2 OF 2 MSDS-OHS

RN 12108-13-3

MSDS

One is the pure compound, the other one is a mixture. Is it possible to separate them?

179

=> help sfield

. . . . . . . . . . . Definition Search Code ----------- -----------

Basic Index None (or /BI)

CAS Registry Number /RN

CAS Registry Number Count /RN.CNT

. . . . . . . . . . . .

MSDS

180

=> l2 and 1/rn.cnt

28920 1/RN.CNT

L3 1 L2 AND 1/RN.CNT

MSDS

181

FORMAT CODEFORMAT CODE CONTENTCONTENT

IDE Substance info

ALL Full MSDS

LABEL Label Data

SUMMARY 1-2 Pag. Summ.

MSDS

182

=> fil msds-ccohs

=> 12108-13-3

L1 2 12108-13-3

MSDS

183

=> help sfield

BI contains single words from

. . . text of the MSDS . . . Definition Search Code ----------- -----------

Basic Index /BI (or none)

Accession Number /AN

Chemical Name /CN

Company Name /CO

Date of MSDS /DATE

Entry Date /ED (or /UP)

Language /LA

MSDS

184

=> l1 and C9H7O3Mn

1 C9H7O3MN

L4 1 L1 AND C9H7O3MN

MSDS

185

=> help format

. . . . . . . . . . . . .ALL AN, CN, CO, DATE, TX

IDE AN, CN, CO, DATE (default)

HIT Fields (CN, CO, DATE) and Hit. .

KWIC Hit fields, or (CN, CO, DATE)

OCC Hit terms and number. . . . . .

MSDS

186

1) In the HSDB File locate information available for dodecylbenzenesulfonic acid. Locate at least one manufacturer.

1) Locate flash point information for oleic acid

Skills Practice

187

3) In RTECS locate any toxicity

available for the chemical

substance Rokanol L10.

Display completely

bibliografic information.

Skills Practice

188

CHEMLIST

189

CHEMLIST

Regulatory SourcesRegulatory Sources:

National Chemical Inventories About 10 US Agencies or Departments Canadian Regulations Affecting Chemicals EEC Classifications, Packaging and

Labelling of Dangerous Substances International Agency for Research

on Cancer

190

Australia AICSCanada DSL-NDSLEurope EINECS-ELINCSIsrael IHSLJapan ENCSKorea ECLPhilippines PICCSSwitzerland INNS-GiftlisteTaiwan TCSUnited States TSCA

National Inventory Lists

CHEMLIST

191

=> fil chemlist

=> help cost

CHEMLIST File USD

------------- -------

Fee (per hour) 57.00

. . . . . . . .

D ALL 18.25

CHEMLIST

192

=> d acc 3838

AN 3838 CHEMLIST

RN 156-62-7

CN Cyanamide. . (TSCA,DSL..

. . . . . .

Alzodef

Cy-L 500

UN 1403 (DOT)

Inventory Names

Common Names (Reg.)

US DOT Agency Numbers

CHEMLIST

193

FSFS AUSTRALIA: AICS; CANADA: DSL, WHMIS; EEC: EECDS, EINECS; ISRAEL:ISRAEL; JAPAN: ENCS; KOREA: ECL; PHILIPPINES: PICCS; SWITZERLAND:SWISS; TAIWAN: TAIWAN;

USA: ACGIH, CAA, DOT, FIFRA, NIOSH, NTP, SARA, STATE, TSCA

CHEMLIST

194

RLN EINECS No.: 205-861-8

ENCS No.: 1-121

ECL Serial No.: KE-04501

SWISS No.: G-1021

ISRAEL No.: 62.1

TAIWAN No.: 109-01

CHEMLIST

195

INV On TSCA Inventory

July 2001 Inventory. .

. . . . . . . . . . . .

On SWISS

Giftliste 1,31 May 1999.

Toxic Category 4: Acute oral Acute oral lethal dose of 500 - 2000 mg/kg.lethal dose of 500 - 2000 mg/kg.

. . . . . . . . . .

CHEMLIST

196

FA RN CAS Registry Number

. . . . . . . . . . . .

S313 Superfund. . . .

HAZT DOT Hazardous. .

NREL NIOSH Recom. . .

. . . . . . . . . . . . .

CHEMLIST

197

=> d s313

L1 ANSWER 1 of 1 CHEMLIST

U.S. EPA Regulations - SARA

S313 Super. .. . .July 1 1997

. . . . . . . . . . .

S313 Super. . .. July 1 1994

. . . . . . . . . . . . .

CHEMLIST

198

=> d hazt


==== U.S. DOT Regulations ====

HAZT DOT Hazard. Materials Table

Fed. Regist. 59 #249:67395

(29 Dec 94)

Listed Name(s): Calcium cyanamide with >0.1% of calcium carbide [UN1403] [Dangerous when wet]

CHEMLIST

199

=> d nrel


U.S. NIOSH Regulations

NREL NIOSH Recommended Exposure

Limits (REL)

Listed Name(s): Calcium cyanamide

REL: 0.5 mg/m3

Health Effects: Eye, skin, and

lung irritation.

CHEMLIST

200

Hint: chemical name are searched as in Registry

Locate national inventory status information for the chemical substance Lucirin LR8728Lucirin LR8728

CHEMLIST

201

=> fil chemlist

=> lucirin lr 8728/cn

L1 1 LUCIRIN LR 8728/CN

=> d


. . . . . . . . . . . . . . .

INV On TSCA Inventory

July 2001 Inventory Tape.

PMN number: P 89-85.

. . . . . . . . . . . .. . .

CHEMLIST

202

. . . . . . . . . . .. .

EPA Flags:

P Commenced PMN

S Proposed or Final

Significant New

Use Rule

. . . . . . . . . . . . . .

CHEMLIST

203

FA RN CAS Registry Number

RLN Regulatory List Number

INV Inventory Status

PMNN Premanuf.Notice Number

PMN Premanufacture Notice

5H Exemption From PMN

RSNU Rule for Significant

New Use (SNUR)

CHEMLIST

204

=> help directory

. . . . . . . .

HELP EPAFLAGS list of special

flags . . .. .

. . . . . . . . . . . .

HELP RSNU content of the RSNU

field

. . . . . . . . . . .

CHEMLIST

205

=> help epaflags

. . . . . . . . . .

P - indicates a commenced PMN

. . . . . . . . .

S - indicates a substance . .

. . . . . . . . . . . .

=> help rsnu

The RSNU field contains . . . .

CHEMLIST

206

Locate legislation in Canada and Europe concerned with:

Cresol (CAS RN 1319-77-3)

CHEMLIST

207

=> fil chemlist

=> 1319-77-3

L1 1 1319-77-3

=> d


CN . . . . . . . . . .

See also specific isomers with

CAS Reg. Nos. 95-48-7, 106-44-5

108-39-4

CHEMLIST

208

FA . . . . . . . .

CANL Canadian Legislation. .

. . . . . . . . .

EECL European Community

Legislation

. . . . . . . . .

=> D CANL EECL

CHEMLIST

209

Fumaric acid is a common reactant used in many reactions. Is fumaric acid listed on the CERCLA or EPCRA lists? Is there any EEC information associated with the classification or packaging of this chemical?

CHEMLIST

210

=> fumaric acid

L2 732 FUMARIC ACID

=> l2 and (cercla or epcra)

L3 1 L2 AND (CERCLA OR EPCRA)

=> d

. . . . . . . . . . . . .

S313 . . . This substance is on

the CERCLA List. . . .

. . . . . . . . . . . . . .

Default DisplayDefault Display is: Query Related DDisplay. D = D QRDDefault DisplayDefault Display is: Query Related DDisplay. D = D QRD

CHEMLIST

211

FA

. . . . . . . . . . . . . .

EECDS EEC Classification,

Packaging . . . .

. . . . . . . . . . . .

=> d eecds

CHEMLIST

212

EECDS . . . . . . . . .

EEC No.: 203-743-0

Index No.: 607-146-00-X

Listed Name(s): fumaric acid

Classification: Xi, R 36

Danger Symbol(s): Xi

Risk Phrase: R: 36

Safety Phrase: S: (2-)26

CHEMLIST

213

=> help eecds

. . . . . . . . . . .

Xi – Irritant

. . . . . . . . . . . .

=> help safety

. . . . . . . . . . . . . .

S 2 - Keep out of the reach of

children . . . . . .

S 26 - In case of contact with

eyes . . . . . . .

CHEMLIST

214

=> help risk

. . . . . . . . . . .

. . . . . . . . . . . .

R 26 - Very toxic by inhalation.

. . . . . . . . . . . . .

CHEMLIST

215

Skills Practice

Which national inventories have

the chemical substance “Carbon Black”?

Is there a definition for carbon black?

Is the substance listed on any state Right-to-Know lists?

216

Locate the Chemlist record for the chemical substance NE220NE220

What is the latest status of this

substance under SARA S313?

What is the latest information on

RCRA?

Are there any OSHA PELs?

Does Canada have a legislation

affecting this chemical?

Skills Practice

217

The substance named:

propylene-ethylene-vinyl acetatepropylene-ethylene-vinyl acetate

copolymer used to be on the Canadian NDSL List. Is it still on this list or has its status changed in Canada?

Skills Practice

218

Is Acifloctin on the FDA: Food Substances Generally Recognized as Safe List?

What Clean Water Act information is available?

Is there any EEC packaging and

labelling information available?

If yes identify the codes used.

Skills Practice

219

CAPLUS EMBASE BIOSIS MEDLINE

Main Files(document-based Filesdocument-based Files)

220

Find Toxicological Information on the Use of Silicones in Implants.

221

HCAPLUS

=> fil hcaplus

=> e silicones/ct

E# FREQ. AT TERM

. . . . . . . . . . . .

E15 3 2 --> SILICONES/CT

222

=> e e15+all

E25 3 --> Silicones/CT

E26 27494 USE Polysiloxanes/CT

******END***

HCAPLUS

223

=> e implants/ct

E# FREQ. AT TERM

-- ----- -- ----

. . . . . . . . . . . . . . .

E29 0 5 --> IMPLANTS/CT

. . . . . . . . . . . . . . . .

HCAPLUS

224

=> e e29+all

E39 0 --> Implants/CT

E40 USE Dental materials and

appliances (L) implants/CT

E41 USE Drug delivery

systems (L) implants/CT

E42 376 USE Implanted ions/CT

E43 USE Prosthetic materials

and Prosthetics (L) implants/CT

******END***

HCAPLUS

225

=> (?silicon? or ?siloxan?)(s)(implant? or

prosthe?)

L2 23612 (?SILICON? OR

?SILOXAN?)(S)(IMPLANT? OR PROSTHE?)

HCAPLUS

226

=>

This Predefined Search Strategy..

L3 QUE TOXICOLOGY/SC,SX OR 59/SC,SX OR CARCINO? OR CYTOTOX? OR FORENSIC OR HAZARD? OR LETHAL OR MUTA? OR POISON? OR TERATO? OR TOXIC? OR NEUROTOXIC? OR PHOTOTOXIC? OR ALLERG?

Predefined Search Straregy: CATOX

HCAPLUS

227

=> l2(l)l3

L4 94 L2(L)L3

=> d scan

. . . . . . . . . . . . . . . .TI Evaluation of the biocompatibility and fixation of a new silicone intraocular lens in the feline model

. . . . . . . . . . . . . . .

HCAPLUS

228

=> e silicones/ct

. . . . . . . . . . . .

E27 3 2 --> SILICONES/CT

=> e e27+all

E37 3 --> Silicones/CT

E38 27494 USE Polysiloxanes/CT

=> e37 or e38

L5 27497 SILICONES/CT OR

POLYSILOXANES/CT

HCAPLUS

229

=> l5(l)adv/rl

L6 53 L5(L)ADV/RL

=> e implants/ct

. . . . . . . . . . . . . . . .

E41 0 5 --> IMPLANTS/CT

=> e41+all

L8 8486 IMPLANTS+ALL/CT(5TERMS)

HCAPLUS

230

=> l5(l)adv/rl and l8

L9 8 L5(L)ADV/RL AND L8

=> l9 not l4

L10 6 L9 NOT L4

HCAPLUS

231

=> d scan

L10 6 ANSWERS HCAPLUS

. . . . . . . . . . . . .

IT Prosthetic materials and Prosthetics

(implants . . . . .

. . . . . . . . . . . . .

IT Polysiloxanes, analysis

RL: ADV (Adverse. . . .

HCAPLUS

232

BIOSIS

=> fil biosis

=> e toxicology/cc

. . . . . . . . . . . . . . . .

E4 48306 TOXICOLOGY – ANTID. .

E5 275129 TOXICOLOGY – ENVIR. .

E6 73267 TOXICOLOGY - . . . .

. . . . . . . . . . . . . . . .

233

=> (?silicon? or ?siloxan?) and (implant? or prosthe?)

L1 3103 (?SILICON? OR. . .

=> l1 and toxic?/cc

L2 394 L1 AND TOXIC?/CC

BIOSIS

234

=> d hitind

CC . . . . . . . . . . . . . .

Toxicology - General; Methods

and Experimental *2250122501

. . . . . . . . . . . . . . . .

BIOSIS

235

=> l1 and 225?/cc

L3 394 L1 AND 225?/CC

=> l1 and 22501/cc

L4 333 L1 AND 22501/CC

BIOSIS

236

MEDLINE

=> fil medline

=> e silicones/ct

E# FREQUENCY AT TERM

. . . . . . . . . . . . . . . .E3 6843 22 --> SILICONES/CT

. . . . . . . . . . . . . . . . .

Medical Subject Headings (MESH)

237

=> e implants/ct

E# FREQUENCY AT TERM

. . . . . . . . . . . . . . . . .

E37 0 1 --> IMPLANTS/CTE38 0 2 IMPLANTS AND PROSTHESES/CT

. . . . . . . . . . . . . . . . .

MEDLINE

238

Search String:

=> (?silicon? or ?siloxan?) and

(implant? or ?prosthe?)

MEDLINE

239

SubHeadingsSubHeadings(MESH Terms modification)

Subheadings are inside CT FieldSimilar to CAS RoleTerms and Superterms

MEDLINE

240

=> help pre-explosion

Subheading Pre-ExplosionsIn order to use this pre-explosion feature, a period (.)

must be placed after the two-letter code

subheading.

adverse effects (AE)

poisoning (PO)

toxicity (TO)

. . . . . . . . . . . . . .

MEDLINE

241

=> (?silicon? or ?siloxan?) (L)

AE./CT and (implant? or ?prosthe?)

L1 1134 (?SILICON? . . .

MEDLINE

242

=> d kwic 1-3

L1 ANSWER 1 OF 1134

. . . . . . . . . . . . . . .

CT . . .

Lens Implantation, Intraocular

. . . . . . . . . . . . . . . .

Silicone Elastomers: AE, adverse effects

. . . . . . . . . . . . . . .

MEDLINE

243

Emergency call for a spill of

FREON11. Requested:

Clean-up procedures Protection equipments Safety precautions Disposal methods Environmental fate Human toxicity

Skills Practice

244

Property Data and Safety information for Xylenes:

Fire . . . . . . Reactivity Explosiveness Flash Point Standards First Aids Etc.

Skills Practice

245

What is the toxicity of Hydrogen What is the toxicity of Hydrogen Peroxide by inhalation?Peroxide by inhalation?

(an abstract is immediately requested)

Skills Practice

246

=> fil reg => hydrogen peroxide/cnL1 1 HYDROGEN PEROXIDE/CN => d lc L1 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2003 ACSLC STN Files: . . . . . ., RTECS*, . . . . . => fil rtecs => l1 and inhalat? L2 1 L1 AND INHALAT? => d toxfull

247

=> d toxfull

-----------+---------------+--------+-----------+--------+----------J27 |inhalation |rat |LC50 2.E-03|4H |GTPZAB | | |kg/m**3 | |21(10),22, | | | | |1977 -----------+---------------+--------+-----------+--------+----------

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya Labor Hygiene andOccupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)V.1-36, 1957-1992.

=> fil caplus => (gigien?(l)trud?(l)profes?(l)zabolev?)/so L4 2972 (GIGIEN?(L)TRUD?(L)PROFES?(L)ZABOLEV?)/SO => l4 and l1 L5 7 L4 AND L1 => l4 and l1(l)inhalat? L6 1 L4 AND L1(L)INHALAT? => b bib ab

248

AN 1978:16854 CAPLUSDN 88:16854TI Comparative toxicity of hydrogen peroxide vapors following inhalation and topical administrationAU Kondrashov, V. A.CS Moscow, USSRSO Gigiena Truda i Professional'nye Zabolevaniya (1977), (10), 22-5 CODEN: GTPZAB; ISSN: 0016-9919DT JournalLA RussianAB Histoenzymol. studies showed that in acute expts. H2O2 was more toxic to rats . . .