3-Chloro-2-nitrobenzenamine

C₆H₅ClN₂O₂CAS 59483-54-4172.57 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: 108–109 °C
logP: 1.83Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59483-54-4

SMILES

Nc1cccc(Cl)c1[N+](=O)[O-]

InChIKey

YADOEPHJIBKBCN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 3-chloro-2-nitro-
3-Chloro-2-nitroaniline
2-Nitro-3-chloroaniline
(3-Chloro-2-nitrophenyl)amine

Work with 3-Chloro-2-nitrobenzenamine

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

1,3-Dichloro-2-nitrobenzene601-88-771 % similar 3-Bromo-2-nitroaniline7138-15-064 % similar 3-Fluoro-2-nitrobenzenamine567-63-562 % similar 1-Chloro-3-methyl-2-nitrobenzene5367-26-059 % similar 1-Chloro-3-fluoro-2-nitrobenzene64182-61-259 % similar 2-Chloro-6-nitrobenzenamine769-11-959 % similar 2-Chloro-5-nitroaniline6283-25-657 % similar 2-Nitro-3-(trifluoromethyl)aniline386-71-057 % 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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