4-Chloro-2-methylaniline hydrochloride

C₇H₉Cl₂NCAS 3165-93-3178.06 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₉Cl₂N
Molar mass: 178.06 g/mol
Exact mass: 177.0112 Da
Water solubility: ≥ 100 g/L (22.2 °C)
logP: 2.65Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H331 Toxic if inhaledAcute toxicity, inhalation
H341 Suspected of causing genetic defectsGerm cell mutagenicity
H350 May cause cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-196-00-0[2]), via PubChem.

Precautionary statements

P203, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3165-93-3

SMILES

Cc1cc(Cl)ccc1N.Cl

InChIKey

VKYZDCTWJGBFDW-UHFFFAOYSA-N

InChI

InChI=1S/C7H8ClN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H

Weigh it out

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

Names and synonyms

12 names

Benzenamine, 4-chloro-2-methyl-, hydrochloride (1:1)
o-Toluidine, 4-chloro-, hydrochloride
Benzenamine, 4-chloro-2-methyl-, hydrochloride
C.I. 37085
Azogene fast red TR
Devol red K
Devol red TR
Neutrosel red TRVA
4-Chloro-o-toluidine hydrochloride
4-Chloro-2-methylbenzenamine hydrochloride
p-Chloro-o-toluidine hydrochloride
2-Methyl-4-chloroaniline hydrochloride

Work with 4-Chloro-2-methylaniline hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Chloro-o-toluidine95-69-2Free base

Similar compounds

3,3′-Dimethylbenzidine dihydrochloride612-82-864 % similar 5-Chloro-2-methylaniline95-79-464 % similar 2,4-Dimethylaniline hydrochloride21436-96-462 % similar 2-Methylbenzene-1,4-diamine dihydrochloride615-45-262 % similar (4-Chloro-2-methylphenyl)hydrazine hydrochloride19690-59-659 % similar 4-Chloro-1,2-dimethylbenzene615-60-156 % similar 4-Chloro-1,2-phenylenediamine95-83-056 % similar 2-Methoxy-5-chloroaniline hydrochloride4274-03-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloromethyl-2-methylpyridinium chloride3099-30-7 5-Chloro-o-toluidine hydrochloride6259-42-3

Elsewhere

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