Home Other Building Blocks 3-Nitroaniline

3-Nitroaniline

CAS No.:
99-09-2
Catalog Number:
AG0039OE
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$33
- +
5g
95%
In Stock USA
United States
$37
- +
25g
95%
In Stock USA
United States
$40
- +
100g
95%
In Stock USA
United States
$51
- +
500g
95%
In Stock USA
United States
$123
- +
Product Description
Catalog Number:
AG0039OE
Chemical Name:
3-Nitroaniline
CAS Number:
99-09-2
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD00007782
IUPAC Name:
3-nitroaniline
InChI:
InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
InChI Key:
XJCVRTZCHMZPBD-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)[N+](=O)[O-]
EC Number:
202-729-1
UNII:
CM50SM561T
NSC Number:
9574
RTECS Number:
BY6825000
UN Number:
1661
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Detection of trace nitroaromatic isomers using indium tin oxide electrodes modified using β-cyclodextrin and silver nanoparticles. Analytical chemistry 20121016
Pyrene-functionalized nanoparticles: two independent sensors, the excimer and the monomer. Analytical chemistry 20120918
N-(4-Methyl-benz-yl)-3-nitro-aniline. Acta crystallographica. Section E, Structure reports online 20120601
Electrochemically synthesized polymers in molecular imprinting for chemical sensing. Analytical and bioanalytical chemistry 20120401
3-(2-Eth-oxy-phen-yl)-1-(3-nitro-phen-yl)triaz-1-ene. Acta crystallographica. Section E, Structure reports online 20111201
4-Nitro-N-(3-nitro-phen-yl)benzamide. Acta crystallographica. Section E, Structure reports online 20111001
A triclinic polymorph of 3-nitro-anilinium chloride. Acta crystallographica. Section E, Structure reports online 20110801
Carbon nanofibers extracted from soot as a sorbent for the determination of aromatic amines from wastewater effluent samples. Journal of chromatography. A 20110610
Determination of nitroanilines in hair dye using polymer monolith microextraction coupled with HPLC. Journal of separation science 20110301
Screening of Potential anti-Trypanosoma cruzi Candidates: In Vitro and In Vivo Studies. The open medicinal chemistry journal 20110101
Supported quantum clusters of silver as enhanced catalysts for reduction. Nanoscale research letters 20110101
7-Methoxy-1-{[(Z)-3-nitrophenylimino](phenyl)methyl}-2-naphthol. Acta crystallographica. Section E, Structure reports online 20101101
Apolar versus polar solvents: a comparison of the strength of some organic acids against different bases in toluene and in water. The journal of physical chemistry. A 20101021
Simultaneous determination of five nitroaniline and dinitroaniline isomers in wastewaters by solid-phase extraction and high-performance liquid chromatography with ultraviolet detection. Chemosphere 20100901
N-(3-Nitro-phen-yl)maleamic acid. Acta crystallographica. Section E, Structure reports online 20100701
Determination of aromatic amines in environmental water sample by hollow fiber-liquid phase microextraction and microemulsion electrokinetic chromatography. Journal of chromatography. A 20100625
1-(2,6-Dichloro-benzo-yl)-3-(3-nitro-phen-yl)thio-urea dimethyl-formamide solvate. Acta crystallographica. Section E, Structure reports online 20100201
Double anomeric effects and a hydrogen-bonded supramolecular motif in N,N'-bis(3-nitrophenyl)methanediamine. Acta crystallographica. Section C, Crystal structure communications 20091201
[Synthesis and anti-histamine release activity of phenyl tetrazole compounds]. Yao xue xue bao = Acta pharmaceutica Sinica 20091001
Synthesis of highly luminescent cobalt(II)-bis(8-hydroxyquinoline) nanosheets as isomeric aromatic amine probes. Nanoscale 20091001
Evaluation of a novel semi-solid Fenton process: case study on a kinetic model of o-nitroaniline degradation in hazardous solid waste. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20090901
2,2-Dimethyl-5-[(3-nitro-anilino)methyl-ene]-1,3-dioxane-4,6-dione. Acta crystallographica. Section E, Structure reports online 20090901
On the electron density topology and electrostatic properties of nitroanilines. A theoretical investigation on m-nitroaniline and 2-methyl-5-nitroaniline crystals. The journal of physical chemistry. A 20090827
Determination of 3-nitroaniline in water samples by directly suspended droplet three-phase liquid-phase microextraction using 18-crown-6 ether and high-performance liquid chromatography. Journal of chromatography. A 20090626
Phytochemical, antibacterial, antiproliferative, and antioxidant potentials and DNA damage-protecting activity of Acacia salicina extracts. Journal of medicinal food 20090601
Bis(3-nitro-anilinium) sulfate. Acta crystallographica. Section E, Structure reports online 20090501
Electrical and humidity characterization of m-NA doped Au/PVA nanocomposites. Talanta 20090430
(E)-N-[(5-Methyl-2-fur-yl)methyl-ene]-3-nitro-aniline. Acta crystallographica. Section E, Structure reports online 20090401
QSAR analysis and specific endpoints for classifying the physiological modes of action of biocides in synchronous green algae. Aquatic toxicology (Amsterdam, Netherlands) 20081020
N-(3-Nitro-phen-yl)-N'-pivaloylthio-urea. Acta crystallographica. Section E, Structure reports online 20080601
Time-resolved resonance Raman observation of the dimerization of didehydroazepines in solution. The journal of physical chemistry. A 20080221
Spectroscopic investigation of conjugated polymers derived from nitroanilines. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080201
Simultaneous spectrophotometric determination of nitroaniline isomers after cloud point extraction by using least-squares support vector machines. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101
Nitroaniline isomers interaction with bovine serum albumin and toxicological implications. Journal of fluorescence 20070901
Low-temperature photoluminescence of p-nitroaniline and o-methyl-p-nitroaniline crystals. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070801
QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorganic & medicinal chemistry 20070601
Energy metabolism and biotransformation as endpoints to pre-screen hepatotoxicity using a liver spheroid model. Toxicology and applied pharmacology 20061015
Tuned optical properties of in-situ synthesized m-nitroaniline doped Ag/PVA nano-composites. Journal of nanoscience and nanotechnology 20060701
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Separation and determination of nitroaniline isomers by capillary zone electrophoresis with amperometric detection. Talanta 20060315
Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk). Journal of medicinal chemistry 20050505
Spectrophotometric simultaneous determination of nitroaniline isomers by orthogonal signal correction-partial least squares. Talanta 20050315
Water-coordinated neutral silane complex: a frozen intermediate of hydrolysis of alkoxysilanes. Journal of the American Chemical Society 20041222
Distributed polarizability analysis for para-nitroaniline and meta-nitroaniline: functional group and charge-transfer contributions. The Journal of chemical physics 20040622
Photocatalytic mineralisation of aniline derivatives in aquatic systems using semiconductor oxides. Annali di chimica 20040101
Comparison of pyrolysis mass spectrometry with high performance liquid chromatography for the analysis of Cremophor EL in drugs and serum. Talanta 20030301
Separation and determination of nitrobenzenes by micellar electrokinetic chromatography and high-performance liquid chromatography. Journal of chromatography. A 20021206
Analysis of aromatic amines in water samples by liquid-liquid-liquid microextraction with hollow fibers and high-performance liquid chromatography. Journal of chromatography. A 20020719
Organic analysis by ion chromatography. 1. Determination of aromatic amines and aromatic diisocyanates by cation-exchange chromatography with amperometric detection. Journal of chromatography. A 20020517
Theoretical study of the internal rotational barriers in nitrotoluenes, nitrophenols, and nitroanilines. Computers & chemistry 20020101
Surfactant-assisted UV-photolysis of nitroarenes. Chemosphere 20020101
Modulatory effect of phenolic fractions of Terminalia arjuna on the mutagenicity in Ames assay. Journal of environmental pathology, toxicology and oncology : official organ of the International Society for Environmental Toxicology and Cancer 20020101
Comparison of pyrolysis-mass spectrometry with high performance liquid chromatography for the analysis of vancomycin in serum. Talanta 20010913
Variable-temperature crystal structure studies of m-nitroaniline. Acta crystallographica. Section B, Structural science 20010601
Bioconversion of 1,3 dinitrobenzene by Micrococcus colpogenes strain MCM B410: quantitation and characterization of the intermediates. Journal of environmental biology 20010401
Properties