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| CAS No.: | 15131-84-7 |
|---|---|
| Name: | chrysene-5,6-oxide |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C18H12 O |
| Molecular Weight: | 244.293 |
| Synonyms: | Chrysene,5,6-epoxy-5,6-dihydro- (8CI); Chryseno[5,6-b]oxirene, 1a,11c-dihydro- (9CI);5,6-Epoxy-5,6-dihydrochrysene; Chrysene 5,6-epoxide; Chrysene 5,6-oxide;Chrysene, K-region epoxide; Oxireno[g]chrysene, 1a,11c-dihydro- |
| Density: | 1.285g/cm3 |
| Boiling Point: | 447.3°Cat760mmHg |
| Flash Point: | 212.4°C |
| Safety: | Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes. See also CHRYSENE. |
| PSA: | 12.53000 |
| LogP: | 4.63280 |
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Chemistry
Empirical Formula: C18H12O
Molecular Weight: 244.2873g/mol
Systematic Name: 1a,11c-dihydrochryseno[5,6-b]oxirene
H-Bond Donor: 0
H-Bond Acceptor: 1
SMILES: O2C3c4c(c1c(cccc1)C23)ccc5ccccc45
InChI: InChI=1/C18H12O/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-18(19-17)16(12)14/h1-10,17-18H
InChIKey: VYYARLZUMSKDPQ-UHFFFAOYAH
Surface Tension: 57.8 dyne/cm
Density: 1.285 g/cm3
Flash Point: 212.4 °C
Boiling Point: 447.3 °C at 760 mmHg
Enthalpy of Vaporization: 67.84 kJ/mol
Vapour Pressure: 9.01E-08 mmHg at 25°C
Structure of Chrysene-5,6-oxide (CAS NO.15131-84-7):
Toxicity Data With Reference
| 1. | mma-sat 50 µg/plate | PNASA6 Proceedings of the National Academy of Sciences of the United States of America. 72 (1975),5135. | ||
| 2. | dnr-esc 100 µmol/L | ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. 92 (1978),157. | ||
| 3. | dns-esc 100 µmol/L | ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. 92 (1978),157. |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes. See also CHRYSENE.
Specification
Chrysene-5,6-oxide , its cas register number is 15131-84-7. It also can be called Chrysene-5,6-epoxide ; 1a,11c-Dihydrochryseno(5,6-b)oxirene and 5,6-Epoxy-5,6-dihydrochrysene . When heated to decomposition it emits acrid smoke and fumes.