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| CAS No.: | 962-32-3 |
|---|---|
| Name: | 5,6-EPOXY-5,6-DIHYDROBENZ[A]ANTHRACENE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C18H12 O |
| Molecular Weight: | 244.293 |
| Synonyms: | Benz[3,4]anthra[1,2-b]oxirene,1a,11b-dihydro- (9CI); Benz[a]anthracene, 5,6-epoxy-5,6-dihydro- (7CI,8CI); (?à)-Benz[a]anthracene 5,6-oxide;5,6-Epoxy-5,6-dihydrobenz[a]anthracene; Benz[a]anthra-5,6-oxide;Benzo(a)anthracene 5,6-oxide |
| Density: | 1.285g/cm3 |
| Boiling Point: | 447.3°Cat760mmHg |
| Flash Point: | 212.4°C |
| Safety: | Questionable carcinogen with experimental carcinogenic data. Human mutation data reported. When heated to decomposition it emits acrid smoke and fumes. |
| PSA: | 12.53000 |
| LogP: | 4.63280 |
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Chemistry
Empirical Formula: C18H12O
Molecular Weight: 244.2873g/mol
Structure of 5,6-Epoxy-5,6-dihydrobenz(a)anthracene (CAS NO.962-32-3):
Index of Refraction: 1.73
Molar Refractivity: 75.9 cm3
Molar Volume: 189.9 cm3
Polarizability: 30.09×10-24cm3
Surface Tension: 57.8 dyne/cm
Density: 1.285 g/cm3
Flash Point: 212.4 °C
Enthalpy of Vaporization: 67.84 kJ/mol
Boiling Point: 447.3 °C at 760 mmHg
Vapour Pressure: 9.01E-08 mmHg at 25°C
Classification Code: Mutation data, Tumor data
Canonical SMILES: C1=CC=C2C=C3C4=CC=CC=C4C5C(C3=CC2=C1)O5
InChI: InChI=1S/C18H12O/c1-2-6-12-10-16-15(9-11(12)5-1)13-7-3-4-8-14(13)17-18(16)19-17/h1-10,17-18H
InChIKey: APIRAYPNDXRJBP-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mmo-sat 3 µg/plate | IJCNAW International Journal of Cancer. 16 (1975),787. | ||
| 2. | mma-sat 450 nmol/L | BBRCA9 Biochemical and Biophysical Research Communications. 66 (1975),693. | ||
| 3. | dni-omi 200 µg/L | PNASA6 Proceedings of the National Academy of Sciences of the United States of America. 74 (1977),1378. | ||
| 4. | sln-dmg-par 5 mmol/L | CNREA8 Cancer Research. 33 (1973),2354. | ||
| 5. | dns-hmn:fbr 10 µmol/L/3H | IJCNAW International Journal of Cancer. 16 (1975),284. | ||
| 6. | otr-mus:fbr 500 µg/L | CNREA8 Cancer Research. 32 (1973),716. |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
Questionable carcinogen with experimental carcinogenic data. Human mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
Specification
5,6-Epoxy-5,6-dihydrobenz(a)anthracene , its cas register number is 962-32-3. It also can be called 1a,11b-Dihydrobenz(3,4)anthra(1,2-b)oxirene ; 3,4-Dihydro-3,4-epoxy-1,2-benzanthracene ; Benz(a)anthra-5,6-oxide ; Benz(a)anthracene, 5,6-oxide ; Benz(a)anthracene-5,6-epoxide ; CCRIS 776 .