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3-Methylbenz(a)anthracene

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Name

3-Methylbenz(a)anthracene

EINECS N/A
CAS No. 2498-75-1 Density 1.164g/cm3
PSA 0.00000 LogP 5.45460
Solubility N/A Melting Point 156.5°C
Formula C19H14 Boiling Point 449.4°Cat760mmHg
Molecular Weight 242.32 Flash Point 217.8°C
Transport Information N/A Appearance N/A
Safety Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes N/A
Molecular Structure Molecular Structure of 2498-75-1 (3-METHYLBENZ(A)ANTHRACENE) Hazard Symbols N/A
Synonyms

3-Methylbenz[a]anthracene;NSC 409462

Article Data 6

3-Methylbenz(a)anthracene Chemical Properties

Molecule structure of 3-Methylbenz(a)anthracene (CAS NO.2498-75-1) :

IUPAC Name: 3-methylbenzo[a]anthracene 
Molecular Weight: 242.31446 g/mol
Molecular Formula: C19H14 
Density: 1.164 g/cm3 
Melting Point: 156.5 deg C
Boiling Point: 449.4 °C at 760 mmHg 
Flash Point: 217.8 °C
Index of Refraction: 1.748
Molar Refractivity: 84.6 cm3
Molar Volume: 208 cm3
Polarizability: 33.54*10-24 cm3
Surface Tension: 51.1 dyne/cm
Enthalpy of Vaporization: 68.09 kJ/mol
Vapour Pressure: 7.61E-08 mmHg at 25 °C 
log P (octanol-water): 6.070
Atmospheric OH Rate Constant: 1.31E-10 cm3/molecule-sec
XLogP3: 6.4 
Exact Mass: 242.10955
MonoIsotopic Mass: 242.10955
Heavy Atom Count: 19
Complexity: 320
Canonical SMILES: CC1=CC2=C(C=C1)C3=CC4=CC=CC=C4C=C3C=C2
InChI: InChI=1S/C19H14/c1-13-6-9-18-16(10-13)7-8-17-11-14-4-2-3-5-15(14)12-19(17)18/h2-12H,1H3
InChIKey of 3-Methylbenz(a)anthracene (CAS NO.2498-75-1) : VYZKVUIQCRWXJH-UHFFFAOYSA-N

3-Methylbenz(a)anthracene Toxicity Data With Reference

1.    

mma-sat 5 µg/plate

    CNREA8    Cancer Research. 36 (1976),4525.

3-Methylbenz(a)anthracene Consensus Reports

EPA Genetic Toxicology Program.

3-Methylbenz(a)anthracene Safety Profile

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

3-Methylbenz(a)anthracene Specification

 3-Methylbenz(a)anthracene (CAS NO.2498-75-1)  is also called 3-Methyl-1,2-benzanthracene ; 4-05-00-02562 (Beilstein Handbook Reference) ; BRN 1954998 ; CCRIS 1883 ; NSC 409462 ; Benz(a)anthracene, 3-methyl- .

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