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Cas Database |
| Name |
5-Methylbenzo(a)pyrene |
EINECS | N/A |
| CAS No. | 31647-36-6 | Density | 1.254g/cm3 |
| PSA | 0.00000 | LogP | 6.04560 |
| Solubility | 0.8ug/L(27 oC) | Melting Point |
215.95°C |
| Formula | C21H14 | Boiling Point | 479.4°C at 760 mmHg |
| Molecular Weight | 266.342 | Flash Point | 236.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental neoplastigenic 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 |
5-Methylbenzo[a]pyrene |
Article Data | 2 |
5-Methylbenzo(a)pyrene Chemical Properties
IUPAC Name: 5-Methylbenzo[a]pyrene
Following is the structure of 5-Methylbenzo(a)pyrene (CAS NO.31647-36-6):
Empirical Formula: C21H14
Molecular Weight: 266.3359 g/mol
Surface Tension: 60 dyne/cm
Density: 1.254 g/cm3
Flash Point: 236.7 °C
Enthalpy of Vaporization: 71.53 kJ/mol
Boiling Point: 479.4 °C at 760 mmHg
Vapour Pressure: 6.9E-09 mmHg at 25 °C
Index of Refraction of 5-Methylbenzo(a)pyrene (CAS NO.31647-36-6): 1.853
Canonical SMILES: CC1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14
InChI: InChI=1S/C21H14/c1-13-11-16-7-4-6-14-9-10-18-17-8-3-2-5-15(17)12-19(13)21(18)20(14)16/h2-12H,1H3
InChIKey: JQANOYBJRYYFQI-UHFFFAOYSA-N
5-Methylbenzo(a)pyrene Toxicity Data With Reference
| 1. | mma-sat 25 µg/plate | CNREA8 Cancer Research. 47 (1987),1509. |
5-Methylbenzo(a)pyrene Safety Profile
Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition, 5-Methylbenzo(a)pyrene (CAS NO.31647-36-6) emits acrid smoke and irritating fumes.
5-Methylbenzo(a)pyrene Specification
5-Methylbenzo(a)pyrene , its cas register number is 31647-36-6. It also can be called Benzo(a)pyrene, 5-methyl- ; and 5-Methyl-BP . Its classification code are Mutation data and Tumor data.
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