4-Chloro-3-nitroaniline

C₆H₅ClN₂O₂CAS 635-22-3172.57 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
Melting point: 103 °C
pKa: 1.9 (conjugate acid)
logP: 1.83Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H300 Fatal if swallowed95.6% of notifiers
H310 Fatal in contact with skin97.8% of notifiers
H330 Fatal if inhaled97.8% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure97.8% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

635-22-3

SMILES

Nc1ccc(Cl)c([N+](=O)[O-])c1

InChIKey

FOHHWGVAOVDVLP-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 4-chloro-3-nitro-
Aniline, 4-chloro-3-nitro-
4-Chloro-3-nitrobenzenamine
3-Nitro-4-chloroaniline
4-Amino-2-nitrochlorobenzene
NSC 37397
(4-Chloro-3-nitrophenyl)amine
2-Nitro-4-aminochlorobenzene

Work with 4-Chloro-3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-4-nitroaniline825-41-275 % similar 3,4-Dinitroaniline610-41-368 % similar 2-Nitro-4-phenylenediamine5307-14-264 % similar 1,4-Dichloro-2-nitrobenzene89-61-264 % similar 2,4-Dinitrochlorobenzene97-00-764 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-562 % similar 4-Methyl-3-nitroaniline119-32-460 % similar 4-Amino-2-nitrophenol119-34-660 % 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 2-Chloro-4-nitroaniline121-87-9 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

Elsewhere

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