Home Nitro Compounds 581-89-5
581-89-5,MFCD00004055
Catalog No.:AA003HPZ
581-89-5 | 2-Nitronaphthalene
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  • Technical Information
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  • Literature
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  • Technical Information
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Technical Information
Catalog Number:
AA003HPZ
Chemical Name:
2-Nitronaphthalene
CAS Number:
581-89-5
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD00004055
IUPAC Name:
2-nitronaphthalene
InChI:
InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChI Key:
ZJYJZEAJZXVAMF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cccc2
EC Number:
209-474-5
UNII:
V5NB52B64Q
RTECS Number:
QJ9760000
UN Number:
2538
Properties
Computed Properties
 
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
2-nitronaphthalene 
2-NITRONAPHTHALENE 
BRN 2046354 
AI3-22413 
V5NB52B64Q 
CHEBI:50637 
ZJYJZEAJZXVAMF-UHFFFAOYSA-N 
AE-562/43461399 
2-nitro naphthalene 
AC1L1X9G 
SCHEMBL57616 
4-05-00-01675 (Beilstein Handbook Reference) 
581-89-5 
CHEMBL353064 
DTXSID2073198 
ZINC2034680 
8615AB 
FCH917514 
MFCD00004055 
QC-128 
RW3288 
SBB061633 
AKOS006229777 
Naphthalene, 2-nitro- 
MCULE-9304288309 
AJ-33003 
AM807227 
AS-49439 
CC-11682 
CJ-31914 
LS-94801 
SC-83563 
DB-021449 
FT-0632433 
beta-Nitronaphthalene 
ST51047640 
2-Nitronaphthalene 10 microg/mL in Cyclohexane 
C19474 
A831777 
C-05701 
2-Nitronaphthalene, BCR(R) certified Reference Material 
InChI=1/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7 
2-Nitronaftalene 
2-Nitronaftaleno 
Naftaleno, 2-nitro- 
UNII-V5NB52B64Q 
C10H7NO2 
C10-H7-N-O2 
CID11392 
C048317 
2-nitro-naphthalene 
CCRIS 1206 
.beta.-Nitronaphthalene 
EINECS 209-474-5 
Literature

Title: The use of silver solid amalgam electrodes for voltammetric and amperometric determination of nitrated polyaromatic compounds used as markers of incomplete combustion.

Journal: TheScientificWorldJournal 20120101

Title: Bioaccumulation of nitroarenes in bivalves at Osaka Bay, Japan.

Journal: Marine pollution bulletin 20110101

Title: A novel approach for a toxicity prediction model of environmental pollutants by using a quantitative structure-activity relationship method based on toxicogenomics.

Journal: ISRN toxicology 20110101

Title: Novel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1.

Journal: PLoS neglected tropical diseases 20100801

Title: Impact of low- and high-oxidation diesel particulate filters on genotoxic exhaust constituents.

Journal: Environmental science & technology 20100201

Title: Formation of nitro products from the gas-phase OH radical-initiated reactions of toluene, naphthalene, and biphenyl: effect of NO2 concentration.

Journal: Environmental science & technology 20081215

Title: Prediction of mutagenic activity of nitronaphthalene isomers by infrared and Raman spectroscopy.

Journal: Journal of hazardous materials 20080615

Title: Secondary effects of catalytic diesel particulate filters: conversion of PAHs versus formation of nitro-PAHs.

Journal: Environmental science & technology 20080515

Title: Polycyclic aromatic hydrocarbons (PAHs), nitrated PAHs and oxygenated PAHs in ambient air of the Marseilles area (South of France): concentrations and sources.

Journal: The Science of the total environment 20071001

Title: Electron- and energy-transfer properties of hydrophilic carotenoids.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

Title: Induction of LacZ mutations in Muta Mouse can distinguish carcinogenic from non-carcinogenic analogues of diaminotoluenes and nitronaphthalenes.

Journal: Mutation research 20060919

Title: Nitration and photonitration of naphthalene in aqueous systems.

Journal: Environmental science & technology 20050215

Title: Polarographic and voltammetric determination of trace amounts of 2-nitronaphthalene.

Journal: Analytical and bioanalytical chemistry 20050101

Title: Sensitive method for the determination of nitrated polycyclic aromatic hydrocarbons in the human diet.

Journal: Analytical and bioanalytical chemistry 20030101

Title: Salmonella typhimurium mutagenicity tester strains that overexpress oxygen-insensitive nitroreductases nfsA and nfsB.

Journal: Mutation research 20020425

Title: Synthesis and photochemical properties of nitro-naphthyl chromophore and the corresponding immunoglobulin bioconjugate.

Journal: Bioconjugate chemistry 20020101

Title: Investigation of the presence of amino and nitro polycyclic aromatic hydrocarbons in a Söderberg primary aluminum smelter.

Journal: AIHA journal : a journal for the science of occupational and environmental health and safety 20020101

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