IUPAC Name: benzo[a]pyren-6-ol
Synonyms of Benzo(a)pyren-6-ol (CAS NO.33953-73-0): 6-Hydroxybenzo(a)pyrene ; 3-06-00-03810 (Beilstein Handbook Reference) ; 5-Hydroxy-3,4-benzopyrene ; 6-Hydroxybenzo(a)pyrene ; BRN 1982121 ; Benzo(a)pyrene, 6-hydroxy- ; CCRIS 1072 ; NSC 30998
CAS NO: 33953-73-0
Molecular Formula of Benzo(a)pyren-6-ol (CAS NO.33953-73-0): C20H12O
Molecular Weight: 268.3087
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 9.23Å2
Index of Refraction: 1.924
Molar Refractivity: 92.18 cm3
Molar Volume: 194.5 cm3
Surface Tension: 72.9 dyne/cm
Density of Benzo(a)pyren-6-ol (CAS NO.33953-73-0): 1.379 g/cm3
Flash Point: 252.9 °C
Enthalpy of Vaporization: 83.19 kJ/mol
Boiling Point: 527.2 °C at 760 mmHg
Vapour Pressure: 9.85E-12 mmHg at 25°C
Molecular Structure:
1. | mma-sat 25 µmol/L | JBCHA3 Journal of Biological Chemistry. 251 (1976),4882. | ||
2. | mma-ham:lng 3700 nmol/L | PNASA6 Proceedings of the National Academy of Sciences of the United States of America. 73 (1976),607. | ||
3. | mmo-sat 7 µg/plate | ENMUDM Environmental Mutagenesis. 7 (1985),839. | ||
4. | msc-ham:lng 5 mg/L | CNREA8 Cancer Research. 36 (1976),3350. |
EPA Genetic Toxicology Program.
Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
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