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72485-26-8

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Basic Information
CAS No.: 72485-26-8
Name: 7,8-dihydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol
Molecular Structure:
Molecular Structure of 72485-26-8 (7,8-dihydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol)
Formula: C20H12O3
Molecular Weight: 300.32
Density: 1.6g/cm3
Boiling Point: 655.6°C at 760 mmHg
Flash Point: 350.3°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
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Chemistry

Systematic Name: 7,8-Dihydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol
Synonyms of 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide (CAS NO.72485-26-8): 7,8-Dihydroxy-9,10-epoxy-7,8-dihydrobenzo(a)pyrene ; Benzo(a)pyrene 7,8-dihydrodiol-9,10-epoxide ; Benzo(a)pyrene-7,8-dihydrodiol-9,10-epoxide ; Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy-
CAS NO: 72485-26-8
Molecular Formula: C20H12O3
Molecular Weight: 300.3075
Molecular Structure :
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 27.69 Å2
Index of Refraction: 1.945
Molar Refractivity: 90.32 cm3
Molar Volume: 187.6 cm3
Surface Tension: 91.1 dyne/cm
Density: 1.6 g/cm3
Flash Point: 350.3 °C
Enthalpy of Vaporization: 101.45 kJ/mol
Boiling Point: 655.6 °C at 760 mmHg
Vapour Pressure: 4.41E-18 mmHg at 25°C
InChI: InChI=1/C20H12O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-18,21-22H
InChIKey: CTXVUJJABIHCFU-UHFFFAOYAR
Std. InChI: InChI=1S/C20H12O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-18,21-22H
Std. InChIKey: CTXVUJJABIHCFU-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mma-sat 4500 nmol/L

     BBRCA9    Biochemical and Biophysical Research Communications. 66 (1975),693.
2.    

dnd-mam:lym 9700 pmol

     IJBBBQ    Indian Journal of Biochemistry and Biophysics. 17 (1980),96.

Safety Profile

Mutation data reported. When 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide (CAS NO.72485-26-8) is heated to decomposition, it emits acrid smoke and irritating fumes.