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Home > Nitro Compounds > 78432-19-6
78432-19-6 | Pyrene, dinitro-
CAS No: 78432-19-6 Catalog No: AG005LYQ MDL No:
Product Description
Catalog Number:
AG005LYQ
Chemical Name:
Pyrene, dinitro-
CAS Number:
78432-19-6
Molecular Formula:
C16H8N2O4
Molecular Weight:
292.2457
IUPAC Name:
1,2-dinitropyrene
InChI:
InChI=1S/C16H8N2O4/c19-17(20)13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(21)22/h1-8H
InChI Key:
PEOXEBCFEGFKKE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c2ccc3c4c2c(cc1[N+](=O)[O-])ccc4ccc3
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.25g/mol
Monoisotopic Mass:
292.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Reaction of nitroso derivatives of dinitropyrenes with sulfhydryl groups of peptides and hemoglobin in vitro and in rats. | Xenobiotica; the fate of foreign compounds in biological systems 20051201 |
| Enhanced sensitivity for the determination of ambiphilic polyaromatic amines by LC-MS/MS after acetylation. | Journal of chromatography. A 20050304 |
| Occurrence and origin of mutagenicity in soil and water environment. | Environmental sciences : an international journal of environmental physiology and toxicology 20050101 |
| Comparison of electrospray ionization, atmospheric pressure chemical ionization, and atmospheric pressure photoionization for the analysis of dinitropyrene and aminonitropyrene LC-MS/MS. | Journal of the American Society for Mass Spectrometry 20041201 |
| Mutagens in contaminated soil: a review. | Mutation research 20041101 |
| Mutagenic activity and quantification of nitroarenes in surface soil in the Kinki region of Japan. | Mutation research 20030708 |
| Determination of nitrated polycyclic aromatic hydrocarbons in diesel particulate-related standard reference materials by using gas chromatography/mass spectrometry with negative ion chemical ionization. | Analytical and bioanalytical chemistry 20030201 |
| Cellular determinants of the mutational specificity of 1-nitroso-6-nitropyrene and 1-nitroso-8-nitropyrene in the lacI gene of Escherichia coli. | Mutation research 20011212 |
| Suppression of arylamine toxicity in the Fischer-344 rat following ingestion of a complex mixture. | Toxicologic pathology 20010101 |
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