2-Chloro-4-nitroaniline

C₆H₅ClN₂O₂CAS 121-87-9172.57 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary 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
pKa: -0.94 (conjugate acid)
Flash point: 205 °C
Water solubility: slightly soluble
logP: 1.83Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 610-009-00-7), via PubChem.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

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

Weigh it out

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 4-Nitro-1,2-phenylenediamine99-56-968 % similar 2,4-Dinitroaniline97-02-964 % 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

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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