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Home Halogens 4-chloro-2-nitroaniline

4-chloro-2-nitroaniline

CAS No.:
89-63-4
Catalog Number:
AG005ODR
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$25
- +
100g
97%
In Stock USA
United States
$50
- +
Product Description
Catalog Number:
AG005ODR
Chemical Name:
4-chloro-2-nitroaniline
CAS Number:
89-63-4
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
MDL Number:
MFCD00007836
IUPAC Name:
4-chloro-2-nitroaniline
InChI:
InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChI Key:
PBGKNXWGYQPUJK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)[N+](=O)[O-])N
EC Number:
201-925-4
UNII:
1929LY233C
NSC Number:
3546
UN Number:
2237
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.568g/mol
Monoisotopic Mass:
172.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
N-(4-Chloro-2-nitro-phen-yl)-5-methyl-isoxazole-4-carboxamide. Acta crystallographica. Section E, Structure reports online 20111201
2-tert-Butyl-6-[(4-chloro-2-nitro-phen-yl)diazen-yl]-4-methylphenol. Acta crystallographica. Section E, Structure reports online 20090701
N-(4-Chloro-2-nitro-phen-yl)methane-sulfonamide. Acta crystallographica. Section E, Structure reports online 20081001
[Design and synthesis of quinoxaline derivatives and their antitumor activities]. Yao xue xue bao = Acta pharmaceutica Sinica 20050901
Development and validation of a reversed-phase liquid chromatographic method for separation and simultaneous determination of COX-2 inhibitors in pharmaceuticals and its application to biological fluids. Biomedical chromatography : BMC 20050601
Reduced flavin: NMR investigation of N5-H exchange mechanism, estimation of ionisation constants and assessment of properties as biological catalyst. BMC biochemistry 20050101
[Toxicity of 4-chloro-2-nitroaniline and 2-chloro-4-nitroaniline to isolated rat hepatocytes]. La Medicina del lavoro 19910101
Properties