Molecular Structure of 7,8-Epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS NO.36504-67-3):
IUPAC: 6B,7a,8,9-Tetrahydrobenzo[1,12]tetrapheno[8,9-b]oxirene
Molecular Formula: C20H14O
Molecular Weight: 270.3246
Density: 1.361 g/cm3
Flash Point: 234.6oC
Boiling Point: 490.3oC at 760 mmHg
Index of Refraction: 1.852
Surface Tension: 67.4 dyne/cm
Molar Volume: 198.6 cm3
Enthalpy of Vaporization: 72.81 kJ/mol
Vapour Pressure: 2.77E-09 mmHg at 25oC
Product Categories: Mutation data
SMILES: O2C3c1cc6c4c5c(ccc4c1CCC23)cccc5cc6
InChI: InChI=1/C20H14O/c1-2-11-4-5-13-10-16-14(8-9-17-20(16)21-17)15-7-6-12(3-1)18(11)19(13)15/h1-7,10,17,20H,8-9H2
InChIKey: PUXXWDDOFZDXKH-UHFFFAOYAR
1. | mma-sat 300 pmol/plate | CNREA8 Cancer Research. 36 (1976),3358. | ||
2. | dni-omi 200 µg/L | PNASA6 Proceedings of the National Academy of Sciences of the United States of America. 74 (1977),1378. | ||
3. | msc-ham:lng 500 µg/L | IJCNAW International Journal of Cancer. 24 (1979),203. |
Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
7,8-Epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene with cas registry number of 36504-67-3 is also known as 7,8,9,10-Tetrahydro-BP-7,8-oxide ; 9,10-Dihydrobenzo(a)pyrene-7,8-epoxide ; Benzo(a)pyrene, 7,8,9,10-tetrahydro-7,8-epoxy- . It would emit acrid smoke and fumes when heated to decomposition . 7,8-Epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene with cas registry number of 36504-67-3 is a mutation which is used in research. It is also used as an intermediate .
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