Home Other Building Blocks 6-NITROBENZ(A)PYRENE

6-NITROBENZ(A)PYRENE

CAS No.:
63041-90-7
Catalog Number:
AG00E9L3
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00E9L3
Chemical Name:
6-NITROBENZ(A)PYRENE
CAS Number:
63041-90-7
MDL Number:
MFCD00215956
IUPAC Name:
6-nitrobenzo[a]pyrene
InChI:
InChI=1S/C20H11NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H
InChI Key:
NMMAFYSZGOFZCM-UHFFFAOYSA-N
UNII:
U2BFP66YG1
Properties
Complexity:
487  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.079g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.313g/mol
Monoisotopic Mass:
297.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  
Literature
Title Journal
Mechanistic Investigations Into the Developmental Toxicity of Nitrated and Heterocyclic PAHs. Toxicological sciences : an official journal of the Society of Toxicology 20170501
Impact of a NO₂-regenerated diesel particulate filter on PAH and NPAH emissions from an EURO IV heavy duty engine. Journal of environmental monitoring : JEM 20111201
Electronic properties of some nitrobenzo[a]pyrene isomers: a possible relationship to mutagenic activity. Journal of molecular modeling 20080601
Structure and vibrational spectra of mononitrated benzo[a]pyrenes. The journal of physical chemistry. A 20060112
Nitration of benzo[a]pyrene adsorbed on coal fly ash particles by nitrogen dioxide: role of thermal activation. Environmental science & technology 20050915
Photochemical degradation of selected nitropolycyclic aromatic hydrocarbons in solution and adsorbed to solid particles. Chemosphere 20040201
Induction of CYP1A1, CYP1A2, and CYP1B1 mRNAs by nitropolycyclic aromatic hydrocarbons in various human tissue-derived cells: chemical-, cytochrome P450 isoform-, and cell-specific differences. Archives of toxicology 20020601
Photochemical generation of nitric oxide from 6-nitrobenzo[a]pyrene. Journal of the American Chemical Society 20010912
Tumorigenicity of nitrated derivatives of pyrene, benz[a]anthracene, chrysene and benzo[a]pyrene in the newborn mouse assay. Carcinogenesis 19860801
Short-term bioassays of nitro derivatives of benzo[a]pyrene and perylene. Carcinogenesis 19840701
Nitration of carcinogenic and non-carcinogenic polycyclic aromatic hydrocarbons results in products able to induce transformation of Syrian hamster cells. Carcinogenesis 19830101
Properties