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Basic Information
CAS No.: 6111-78-0
Name: 11-METHYLBENZ[A]ANTHRACENE
Molecular Structure:
Molecular Structure of 6111-78-0 (11-METHYLBENZ[A]ANTHRACENE)
Formula: C19H14
Molecular Weight: 242.32
Synonyms: Benz[a]anthracene, 11-methyl-;11-methylbenzo[a]anthracene;
Density: 1.164g/cm3
Melting Point: 118°C
Boiling Point: 449.4°C at 760 mmHg
Flash Point: 217.8°C
Safety: Questionable carcinogen with carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 0.00000
LogP: 5.45460
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Chemistry

Chemistry informtion about 11-Methylbenz(A)Anthracene(CAS NO.6111-78-0) is:
IUPAC Name: 11-methylbenzo[b]phenanthrene
Synonyms: 11-METHYLBENZ[A]ANTHRACENE ; 11-methyl-benz(a)anthracen ; 11-Methylbenzo[a]anthracene ; 8-Methyl-1,2-benzanthracene ; Benzo[a]anthracene, 11-methyl
MF: C19H14
MW: 242.31 
Density: 1.164 g/cm3
Flash Point: 217.8 °C
Enthalpy of Vaporization: 68.09 kJ/mol
Boiling Point: 449.4 °C at 760 mmHg
Vapour Pressure: 7.61E-08 mmHg at 25°C
Following is the molecular structure of 11-Methylbenz(A)Anthracene(CAS NO.6111-78-0) is:

Toxicity Data With Reference

1.    

mma-sat 50 µg/plate

     CNREA8    Cancer Research. 36 (1976),4525.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Questionable carcinogen with carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

Descriptors computed from structure about 11-Methylbenz(A)Anthracene(CAS NO.6111-78-0) is:
Canonical SMILES: CC1=CC=CC2=CC3=C(C=C12)C4=CC=CC=C4C=C3
InChI: InChI=1S/C19H14/c1-13-5-4-7-15-11-16-10-9-14-6-2-3-8-17(14)19(16)12-18(13)15/h2-12H,1H3
InChIKey: ARHCZXQENFEAFA-UHFFFAOYSA-N