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71964-72-2

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Basic Information
CAS No.: 71964-72-2
Name: 7,12-DIMETHYLBENZ(A)ANTHRACENE-3,4-DIOL
Article Data: 3
Molecular Structure:
Molecular Structure of 71964-72-2 (7,12-DIMETHYLBENZ(A)ANTHRACENE-3,4-DIOL)
Formula: C20H16O2
Molecular Weight: 288.36
Density: 1.303g/cm3
Boiling Point: 561°Cat760mmHg
Flash Point: 269.9°C
Safety: Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 40.46000
LogP: 5.17420
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Chemistry

IUPAC Name: 7,12-Dimethylbenzo[h]phenanthrene-3,4-diol
Synonyms of 7,12-Dimethylbenz(a)anthracene-3,4-diol (CAS NO.71964-72-2): Benz(a)anthracene-3,4-diol, 7,12-dimethyl- CAS NO: 71964-72-2
Molecular Formula: C20H16O2
Molecular Weight: 288.3398
Molecular Structure :
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 18.46 Å2
Index of Refraction: 1.784
Molar Refractivity: 93.19 cm3
Molar Volume: 221.1 cm3
Surface Tension: 63.3 dyne/cm
Density: 1.303 g/cm3
Flash Point: 269.9 °C
Enthalpy of Vaporization: 87.51 kJ/mol
Boiling Point: 561 °C at 760 mmHg
Vapour Pressure: 3.44E-13 mmHg at 25°C
InChI: InChI=1/C20H16O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,21-22H,1-2H3
InChIKey: UOGIXWFTUIUULQ-UHFFFAOYAD
Std. InChI: InChI=1S/C20H16O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,21-22H,1-2H3
Std. InChIKey: UOGIXWFTUIUULQ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mma-sat 10 nmol/plate

     46OJAN    Chemical Analysis and Biological Fate: Polynuclear Aromatic Hydrocarbons Columbus, OH.: Battelle Press,1981,675.

Safety Profile

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When ,12-Dimethylbenz(a)anthracene-3,4-diol (CAS NO.71964-72-2) is heated to decomposition ,it emits acrid smoke and irritating fumes.