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. | mmo-sat 1 µg/plate | ENMUDM Environmental Mutagenesis. 6 (1984),417. | ||
2. | mma-ham:ovr 5 mg/L | CRNGDP Carcinogenesis. 7 (1985),681. |
Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
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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