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| Name |
9-Fluoro-5-methylchrysene |
EINECS | N/A |
| CAS No. | 64977-48-6 | Density | 1.226g/cm3 |
| PSA | 0.00000 | LogP | 5.59370 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H13F | Boiling Point | 452.4°Cat760mmHg |
| Molecular Weight | 260.32 | Flash Point | 199.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of F−. See also CHRYSENE. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
9-Fluoro-5-methylchrysene;CHRYSENE,9-FLUORO-5-METHYL;9-Fluor-5-methylchrysen; |
9-Fluoro-5-methylchrysene Chemical Properties
Molecular Formula: C19H13F
Molecular Weight: 260.304923 g/mol
The Molecular Structure of 9-Fluoro-5-methylchrysene (CAS NO.64977-48-6):
IUPAC: 3-fluoro-11-methylchrysene
Density: 1.226 g/cm3
Flash Point: 199.4 °C
Enthalpy of Vaporization: 68.43 kJ/mol
Boiling Point: 452.4 °C at 760 mmHg
Vapour Pressure: 6.04E-08 mmHg at 25°C
Index of Refraction: 1.728
Molar Refractivity: 84.59 cm3
Molar Volume: 212.2 cm3
Surface Tension: 49.6 dyne/cm
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.42
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 5.5): 44755.8
ACD/BCF (pH 7.4): 44755.8
ACD/KOC (pH 5.5): 74243.9
ACD/KOC (pH 7.4): 74243.9
InChI: InChI=1/C19H13F/c1-12-10-14-6-8-15(20)11-18(14)17-9-7-13-4-2-3-5-16(13)19(12)17/h2-11H,1H3
Smiles: c12c(c3c(ccc(c3)F)cc2C)ccc2c1cccc2
Classification Code: Mutation data,Tumor data
9-Fluoro-5-methylchrysene Toxicity Data With Reference
| 1. | mma-sat 20 µg/plate | JMCMAR Journal of Medicinal Chemistry. 21 (1978),38. |
9-Fluoro-5-methylchrysene Consensus Reports
EPA Genetic Toxicology Program.
9-Fluoro-5-methylchrysene Safety Profile
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of F−. See also CHRYSENE.
9-Fluoro-5-methylchrysene Specification
9-Fluoro-5-methylchrysene (CAS NO.64977-48-6) is also called as BRN 2530698 ; Chrysene, 9-fluoro-5-methyl- .
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