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63019-25-0

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Basic Information
CAS No.: 63019-25-0
Name: 7,12-Dihydro-7,12-dimethyl-7,12-epoxybenz[a]anthracene
Molecular Structure:
Molecular Structure of 63019-25-0 (7,12-Dihydro-7,12-dimethyl-7,12-epoxybenz[a]anthracene)
Formula: C20H16O
Molecular Weight: 272.36
Synonyms: 9:10-Dimethyl-1:2-benzanthracene-9:10-oxide;
Density: 1.24g/cm3
Boiling Point: 415.6°Cat760mmHg
Flash Point: 195.6°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 9.23000
LogP: 4.71040
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Chemistry

The Molecular Structure of 9:10-Dimethyl-1:2-benzanthracene-9:10-oxide (CAS NO.63019-25-0):
Molecular Formula: C20H16O
Molecular Weight: 272.340440 g/mol 
Density: 1.24 g/cm3
Flash Point: 195.6 °C
Enthalpy of Vaporization: 64.28 kJ/mol
Boiling Point: 415.6 °C at 760 mmHg
Vapour Pressure: 9.81E-07 mmHg at 25°C 
Polar Surface Area: 9.23Å2
Index of Refraction: 1.703
Molar Refractivity: 85.12 cm3
Molar Volume: 219.4 cm3
Surface Tension: 59.2 dyne/cm
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 5.71
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 5.5): 12812.77
ACD/BCF (pH 7.4): 12812.77
ACD/KOC (pH 5.5): 30327.68
ACD/KOC (pH 7.4): 30327.68 
InChI: InChI=1/C20H16O/c1-19-15-9-5-6-10-16(15)20(2,21-19)18-14-8-4-3-7-13(14)11-12-17(18)19/h3-12H,1-2H3
Smiles: c12[C@@]3(c4c(cccc4)[C@@](c1ccc1c2cccc1)(C)O3)C
Classification Code: Tumor data

Toxicity Data With Reference

1.    

skn-mus TDLo:860 mg/kg/36W-I:ETA

     PRLBA4    Proceedings of the Royal Society of London, Series B, Biological Sciences. 129 (1940),439.

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 9:10-Dimethyl-1:2-benzanthracene-9:10-oxide (CAS NO.63019-25-0) is also called as 4-17-00-00738 (Beilstein Handbook Reference) ; 7,12-Dihydro-7,12-dimethyl-7,12-epoxybenz(a)anthracene ; BRN 0248792 ; Benz(a)anthracene, 7,12-dihydro-7,12-dimethyl-7,12-epoxy- .