Product Name: 4-Methylbenz(a)anthracene (CAS NO.316-49-4)
Molecular Formula: C19H14
Molecular Weight: 242.33g/mol
Mol File: 316-49-4.mol
Boiling point: 449.4 °C at 760 mmHg
Flash Point: 217.8 °C
Density: 1.164 g/cm3
Surface Tension: 51.1 dyne/cm
Enthalpy of Vaporization: 68.09 kJ/mol
Vapour Pressure: 7.61E-08 mmHg at 25°C
XLogP3-AA: 5.8
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of 4-Methylbenz(a)anthracene (CAS NO.316-49-4):
IUPAC Name: 6-Methylbenzo[a]anthracene
Canonical SMILES: CC1=CC2=CC=CC=C2C3=CC4=CC=CC=C4C=C13
InChI: InChI=1S/C19H14/c1-13-10-16-8-4-5-9-17(16)19-12-15-7-3-2-6-14(15)11-18(13)19/h2-12H,1H3
InChIKey: WOIBRJNTTODOPT-UHFFFAOYSA-N
1. | mma-sat 20 µg/plate | CNREA8 Cancer Research. 36 (1976),4525. |
EPA Genetic Toxicology Program.
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
4-Methylbenz(a)anthracene , its CAS NO. is 316-49-4, the synonyms are 4'-Methyl-1:2-benzanthracene ; 4-05-00-02562 (Beilstein Handbook Reference) ; BRN 1954983 ; CCRIS 1884 ; Benz(a)anthracene, 4-methyl- .
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