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| Name |
6-Bromomethylbenzo(a)pyrene |
EINECS | N/A |
| CAS No. | 49852-85-9 | Density | 1.53g/cm3 |
| PSA | 0.00000 | LogP | 6.63210 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H13Br | Boiling Point | 530°Cat760mmHg |
| Molecular Weight | 345.25 | Flash Point | 268.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental tumorigenic data. Mutation data reported. See also BROMIDES. When heated to decomposition it emits toxic fumes of Br−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
BENZO(a)PYRENE,6-BROMOMETHYL;6-BROMOMETHYLBENZO[A]PYRENE;6-[bromo(13c)methyl]benzo[pqr]tetraphene;6-Brommethylbenz[a]pyren; |
6-Bromomethylbenzo(a)pyrene Chemical Properties
IUPAC Name: 6-(bromomethyl)benzo[a]pyrene
Empirical Formula: C21H13Br
Molecular Weight: 345.2319g/mol
Structure of 6-Bromomethylbenzo(a)pyrene (CAS NO.49852-85-9):
Index of Refraction: 1.875
Molar Refractivity: 102.95 cm3
Molar Volume: 225.5 cm3
Polarizability: 40.81×10-24cm3
Surface Tension: 65.7 dyne/cm
Density: 1.53 g/cm3
Flash Point: 268.8 °C
Enthalpy of Vaporization: 77.49 kJ/mol
Boiling Point: 530 °C at 760 mmHg
Vapour Pressure: 8.75E-11 mmHg at 25°C
Classification Code: Mutation data, Tumor data
Canonical SMILES: C1=CC=C2C(=C1)C3=C4C(=C2CBr)C=CC5=CC=CC(=C54)C=C3
InChI: InChI=1S/C21H13Br/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-11H,12H2
InChIKey: DMAOOKLAQXNHTK-UHFFFAOYSA-N
6-Bromomethylbenzo(a)pyrene Toxicity Data With Reference
| 1. | dnd-mam:lum 100 mg/L | CBINA8 Chemico-Biological Interactions. 47 (1983),111. | ||
| 2. | add-uns:lym 100 mg/L | CBINA8 Chemico-Biological Interactions. 47 (1983),111. |
6-Bromomethylbenzo(a)pyrene Safety Profile
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. See also BROMIDES. When heated to decomposition it emits toxic fumes of Br−.
6-Bromomethylbenzo(a)pyrene Specification
6-Bromomethylbenzo(a)pyrene , its cas register number is 49852-85-9. It also can be called BRN 2468290 ; CCRIS 2792 ; Benzo(a)pyrene, 6-bromomethyl- . The storage environment of 6-Bromomethylbenzo(a)pyrene (CAS NO.49852-85-9) should be ventilate, low-temperature and dry.
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