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 .
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. |
EPA Genetic Toxicology Program.
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.
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- .
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