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316-49-4

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Basic Information
CAS No.: 316-49-4
Name: 4-methylbenz(a)anthracene
Article Data: 11
Molecular Structure:
Molecular Structure of 316-49-4 (4-methylbenz(a)anthracene)
Formula: C19H14
Molecular Weight: 242.32
Synonyms: 4-Methyl-1,2-benzanthracene;4-Methylbenz[a]anthracene
Density: 1.164g/cm3
Melting Point: 198°C
Boiling Point: 449.4°Cat760mmHg
Flash Point: 217.8°C
Safety: Questionable carcinogen with experimental 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

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

Toxicity Data With Reference

1.    

mma-sat 20 µg/plate

     CNREA8    Cancer Research. 36 (1976),4525.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

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

Specification

 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- .