5-Chloro-2-nitroaniline

C₆H₅ClN₂O₂CAS 1635-61-6172.57 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: 127.8 °C
logP: 1.83Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H300 Fatal if swallowed96.4% of notifiers
H310 Fatal in contact with skin96.4% of notifiers
H330 Fatal if inhaled96.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure98.2% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 56 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

1635-61-6

SMILES

Nc1cc(Cl)ccc1[N+](=O)[O-]

InChIKey

ZCWXYZBQDNFULS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

12 names

Benzenamine, 5-chloro-2-nitro-
Aniline, 5-chloro-2-nitro-
5-Chloro-2-nitrobenzenamine
3-Chloro-6-nitroaniline
2-Amino-4-chloro-1-nitrobenzene
2-Nitro-5-chloroaniline
2-Amino-4-chloronitrobenzene
3-Amino-4-nitrochlorobenzene
5-Chloro-2-nitrophenylamine
NSC 400866
1-Nitro-2-amino-4-chlorobenzene
5-Chlor-2-nitroanilin

Work with 5-Chloro-2-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

4-Chloro-2-nitroaniline89-63-475 % similar 4-Chloro-1,2-dinitrobenzene610-40-268 % similar 4-Nitro-m-phenylenediamine5131-58-864 % similar 2,4-Dichloronitrobenzene611-06-364 % similar 5-Fluoro-2-nitrobenzenamine2369-11-160 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-260 % similar 5-Methyl-2-nitroaniline578-46-160 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-860 % 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 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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