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70021-98-6

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Basic Information
CAS No.: 70021-98-6
Name: 3-nitrobenzo(a)pyrene
Article Data: 6
Molecular Structure:
Molecular Structure of 70021-98-6 (3-nitrobenzo(a)pyrene)
Formula: C20H11 N O2
Molecular Weight: 297.32
Synonyms: 3-Nitrobenzo[a]pyrene
Density: 1.429g/cm3
Melting Point: 211.5°C
Boiling Point: 533.5°C at 760 mmHg
Flash Point: 265.4°C
Safety: Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
PSA: 45.82000
LogP: 6.16860
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Chemistry

Product Name: 3-Nitrobenzo(a)pyrene (CAS NO.70021-98-6)

IUPAC: 3-Nitrobenzo[a]pyrene
Molecular Formula: C20H11NO2
Molecular Weight: 297.32g/mol
Mol File: 70021-98-6.mol
Boiling point: 533.5 °C at 760 mmHg
Flash Point: 265.4 °C
Density: 1.429 g/cm3
Surface Tension: 73.5 dyne/cm
Enthalpy of Vaporization: 77.92 kJ/mol
Vapour Pressure: 6.33E-11 mmHg at 25°C
XLogP3-AA: 6.3
H-Bond Donor: 0
H-Bond Acceptor: 2

Toxicity Data With Reference

1.    

mmo-sat 100 ng/plate

     CRNGDP    Carcinogenesis. 6 (1985),1235.
2.    

mma-ham:ovr 5 mg/L

     CRNGDP    Carcinogenesis. 7 (1985),681.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.

Specification

 3-Nitrobenzo(a)pyrene ,its CAS NO. is 70021-98-6, the synonyms are BRN 4322790 ; CCRIS 2433 ; Benzo(a)pyrene, 3-nitro- .