Molecular structure of 3-Nitrobenzo(a)pyrene-trans-9,10-dihydrodiol (CAS NO.98151-91-8) is:
Product Name: 3-Nitrobenzo(a)pyrene-trans-9,10-dihydrodiol
CAS Registry Number: 98151-91-8
IUPAC Name: (9S,10S)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol
Molecular Weight: 331.32152 [g/mol]
Molecular Formula: C20H13NO4
XLogP3-AA: 3.7
H-Bond Donor: 2
H-Bond Acceptor: 4
Surface Tension: 87.6 dyne/cm
Density: 1.593 g/cm3
Flash Point: 254 °C
Enthalpy of Vaporization: 96.22 kJ/mol
Boiling Point: 617.2 °C at 760 mmHg
Vapour Pressure: 4.33E-16 mmHg at 25°C
Classification Code: Mutation data
1. | mic-sat 800 ng/plate | CRNGDP Carcinogenesis. 6 (1985),1235. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
3-Nitrobenzo(a)pyrene-trans-9,10-dihydrodiol , its cas register number is 98151-91-8. It also can be called CCRIS 2727 ; trans-9,10-Dihydro-3-nitrobenzo(a)pyrene-9,10-diol ; Benzo(a)pyrene-9,10-diol, 9,10-dihydro-3-nitro-, (9R,10R)-rel- ; Benzo(a)pyrene-9,10-diol, 9,10-dihydro-3-nitro-, trans- ; trans-9,10-Dihydro-3-nitrobenzo(a)pyrene-9,10-diol .
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