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1-Nitrobenzo(a)pyrene

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1-Nitrobenzo(a)pyrene

EINECS N/A
CAS No. 70021-99-7 Density 1.429g/cm3
PSA 45.82000 LogP 6.16860
Solubility N/A Melting Point 250.25°C
Formula C20H11 N O2 Boiling Point 533.5°C at 760 mmHg
Molecular Weight 297.32 Flash Point 265.4°C
Transport Information N/A Appearance N/A
Safety Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS. Risk Codes N/A
Molecular Structure Molecular Structure of 70021-99-7 (1-Nitrobenzo(a)pyrene) Hazard Symbols N/A
Synonyms

1-Nitrobenzo(a)pyrene

Article Data 6

1-Nitrobenzo(a)pyrene Chemical Properties

Product Name: 1-Nitrobenzo(a)pyrene 
CAS Registry Number: 70021-99-7 
Synonyms: BRN 4322791 ; CCRIS 2161 ; Benzo(a)pyrene, 1-nitro- 
IUPAC Name: 1-nitrobenzo[a]pyrene 
Molecular Weight: 297.30684 [g/mol]
Molecular Formula: C20H11NO2
XLogP3: 6.3
H-Bond Acceptor: 2 
Surface Tension: 73.5 dyne/cm
Density: 1.429 g/cm3
Flash Point: 265.4 °C
Enthalpy of Vaporization: 77.92 kJ/mol
Boiling Point: 533.5 °C at 760 mmHg
Vapour Pressure: 6.33E-11 mmHg at 25°C
Following is the molecular structure of 1-Nitrobenzo(a)pyrene (CAS NO.70021-99-7) is:

1-Nitrobenzo(a)pyrene Toxicity Data With Reference

1.    

mmo-sat 1 µg/plate

    ENMUDM    Environmental Mutagenesis. 6 (1984),417.
2.    

mma-ham:ovr 5 mg/L

    CRNGDP    Carcinogenesis. 7 (1985),681.

1-Nitrobenzo(a)pyrene Safety Profile

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

1-Nitrobenzo(a)pyrene Specification

Descriptors computed from structure, you can know some information about 1-Nitrobenzo(a)pyrene (CAS NO.70021-99-7) :
Canonical SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3
InChI: InChI=1S/C20H11NO2/c22-21(23)18-10-7-12-5-6-14-11-13-3-1-2-4-15(13)16-8-9-17(18)19(12)20(14)16/h1-11H
InChIKey: ICKISBPYFVBVQG-UHFFFAOYSA-N

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