chempirical

2-Chloro-4-nitroaniline

C6H5ClN2O2CAS 121-87-9172.57 g/mol

Open in Covalent MOL file
H2NN+OO−Cl
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5ClN2O2
Molar mass
172.57 g/mol
Exact mass
172.0040 Da
Density
below 1 g/mL
Melting point
108 °C
Boiling point
above 200 °C
logP
1.83Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
121-87-9
SMILES
Nc1ccc([N+](=O)[O-])cc1Cl
InChIKey
LOCWBQIWHWIRGN-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • Benzenamine, 2-chloro-4-nitro-
  • Aniline, 2-chloro-4-nitro-
  • 2-Chloro-4-nitrobenzenamine
  • o-Chloro-p-nitroaniline
  • OCPNA
  • 1-Amino-2-chloro-4-nitrobenzene
  • 2-Chloro-4-nitrophenylamine
  • 4-Nitro-2-chloroaniline
  • NSC 3548

Work with 2-Chloro-4-nitroaniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-5-nitroaniline6283-25-675 % similar 1,2-Dichloro-4-nitrobenzene99-54-768 % similar 2-Amino-5-nitrophenol121-88-062 % similar 2,6-Dichloro-4-nitroaniline99-30-961 % similar 2-Chloro-4-nitrotoluene121-86-860 % similar 2-Bromo-4-nitrobenzenamine13296-94-160 % similar 1-Bromo-2-chloro-4-nitrobenzene29682-39-160 % similar 3-Chloro-4-fluoronitrobenzene350-30-160 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 6-chloropyridazine-4-carboxylate1093860-48-0 5-Chloro-2-methyl-3-nitropyridine1211533-93-5 Methyl 2-chloropyrimidine-4-carboxylate149849-94-5 5-Chloro-2-nitroaniline1635-61-6 2-Chloro-3-methyl-5-nitropyridine22280-56-4 6-Chloro-2-methyl-3-nitropyridine22280-60-0 2-Chloro-4-methyl-5-nitropyridine23056-33-9 2-Chloro-4-methyl-3-nitropyridine23056-39-5

Elsewhere

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