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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 | Hazard Symbols | N/A | |
Synonyms |
3-Methylbenz[a]anthracene;NSC 409462 |
Article Data | 6 |
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
1. | mma-sat 5 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.
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- .