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Basic Information
CAS No.: 13345-62-5
Name: 7-chloromethyl-12-methylbenz(a)anthracene
Article Data: 5
Molecular Structure:
Molecular Structure of 13345-62-5 (7-chloromethyl-12-methylbenz(a)anthracene)
Formula: C20H15Cl
Molecular Weight: 290.80
Synonyms: 7-(chloromethyl)-12-methyltetraphene;7-Chlormethyl-12-methylbenzanthracene;Benz(a)anthracene,7-(chloromethyl)-12-methyl;7-chloromethyl-12-methyl-benzo[a]anthracene;7-(Chloromethyl)-12-methylbenzanthracene;IRC 453;
Density: 1.233g/cm3
Boiling Point: 504.6°C at 760 mmHg
Flash Point: 235.4°C
Safety: Poison by intravenous route. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic Cl−. See also CHLORINATED HYDROCARBONS, AROMATIC.
PSA: 0.00000
LogP: 6.19340
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Chemistry

The Molecular Structure of 7-Chloromethyl-12-methylbenz(a)anthracene (CAS NO.13345-62-5):

Molecular Formula: C20H15Cl
Molecular Weight: 290.786100 g/mol
Index of Refraction: 1.732
Molar Refractivity: 94.37 cm3
Molar Volume: 235.7 cm3
Surface Tension: 51.5 dyne/cm
Density: 1.233 g/cm3
Flash Point: 235.4 °C
Enthalpy of Vaporization: 74.48 kJ/mol
Boiling Point: 504.6 °C at 760 mmHg
Vapour Pressure: 8.21E-10 mmHg at 25°C 
Classification Code:  Mutation data,Tumor data 
InChI
InChI=1/C20H15Cl/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3
Smiles
c12c(c(CCl)c3c(c1C)cccc3)ccc1c2cccc1 
The IUPAC of 7-Chloromethyl-12-methylbenz(a)anthracene (CAS NO.13345-62-5) is 7-(chloromethyl)-12-methylbenzo[b]phenanthrene .

Toxicity Data With Reference

1.    

mma-sat 1 µg/plate

     PNASA6    Proceedings of the National Academy of Sciences of the United States of America. 72 (1975),5135.
2.    

ivn-mus LDLo:2 mg/kg

     CNREA8    Cancer Research. 36 (1976),2423.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by intravenous route. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic Cl−. See also CHLORINATED HYDROCARBONS, AROMATIC.

Specification

 7-Chloromethyl-12-methylbenz(a)anthracene (CAS NO.13345-62-5) is also called as BRN 1986914 ; CCRIS 868 ; IRC 453 ; NSC 133486 ; Benz(a)anthracene, 7-(chloromethyl)-12-methyl- .