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| CAS No.: | 39834-38-3 |
|---|---|
| Name: | 7,12-dimethylbenz(a)anthracene 5,6-oxide |
| Molecular Structure: | |
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| Formula: | C20H16O |
| Molecular Weight: | 272.346 |
| Synonyms: | 7,12-Dimethylbenz(a)anthracene-5,6-epoxide;1a,11b-Dihydro-6,11-dimethylbenz(3,4)anthra(1,2-b)oxirene;7,12-Dimethylbenzanthracen-5,6-oxid;5,6-Epoxy-5,6-dihydro-7,12-dimethylbenz(a)anthracene;BENZ(a)ANTHRACENE,5,6-DIHYDRO-7,12-DIMETHYL-5,6-EPOXY;5,6-oxide-7,12-dimethylbenz(a)anthracene;7,12-Dimethyl-5,6-epoxy-5,6-dihydrobenz(a)anthracene;5,6-epoxy-7,12-dimethyl-5,6-dihydro-benzo[a]anthracene;7,12-Dimethylbenz(a)anthracene 5,6-oxide; |
| Density: | 1.223g/cm3 |
| Boiling Point: | 468.4°Cat760mmHg |
| Flash Point: | 223.4°C |
| Safety: | Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 12.53000 |
| LogP: | 5.24960 |
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Chemistry
Systematic Name: 6,11-Dimethyl-1a,11b-dihydrotetrapheno[5,6-b]oxirene
Synonyms of 7,12-Dimethylbenz(a)anthracene 5,6-oxide (CAS NO.39834-38-3 ): 1a,11b-Dihydro-6,11-dimethylbenz(3,4)anthra(1,2-b)oxirene ; 5,6-Epoxy-5,6-dihydro-7,12-dimethylbenz(a)anthracene ; 5-17-02-00484 (Beilstein Handbook Reference) ; 7,12-Dimethyl-5,6-epoxy-5,6-dihydrobenz(a)anthracene ; 7,12-Dimethylbenz(a)anthracene-5,6-epoxide ; Benz(a)anthracene, 5,6-dihydro-7,12-dimethyl-5,6-epoxy-
CAS NO: 39834-38-3
Molecular Formula: C20H16O
Molecular Weight: 272.3404
Molecular Structure : .png)
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 12.53 Å2
Index of Refraction: 1.695
Molar Refractivity: 85.55 cm3
Molar Volume: 222.5 cm3
Surface Tension: 52.5 dyne/cm
Density: 1.223 g/cm3
Flash Point: 223.4 °C
Enthalpy of Vaporization: 70.26 kJ/mol
Boiling Point: 468.4 °C at 760 mmHg
Vapour Pressure: 1.69E-08 mmHg at 25°C
InChI: InChI=1/C20H16O/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19-20(18)21-19/h3-10,19-20H,1-2H3
InChIKey: HVGNLIKFFBYBQM-UHFFFAOYAV
Std. InChI: InChI=1S/C20H16O/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19-20(18)21-19/h3-10,19-20H,1-2H3
Std. InChIKey: HVGNLIKFFBYBQM-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | dnr-esc 100 µmol/L | ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. 92 (1978),157. | ||
| 2. | dnd-hmn:fbr 20 mmol/L | MUREAV Mutation Research. 43 (1977),117. | ||
| 3. | otr-mus:oth 50 µg/L | IJCNAW International Journal of Cancer. 13 (1974),304. |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
Human mutation data reported. When 7,12-Dimethylbenz(a)anthracene 5,6-oxide (CAS NO.39834-38-3 ) is heated to decomposition ,it emits acrid smoke and irritating fumes.