4-Amino-3-chlorophenol hydrochloride

C₆H₇Cl₂NOCAS 52671-64-4180.03 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₇Cl₂NO
Molar mass: 180.03 g/mol
Exact mass: 178.9905 Da
Melting point: 234 °C
logP: 2.05Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

52671-64-4

SMILES

Cl.Nc1ccc(O)cc1Cl

InChIKey

RFJVQGMBFQGZPV-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClNO.ClH/c7-5-3-4(9)1-2-6(5)8;/h1-3,9H,8H2;1H

Weigh it out

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

Names and synonyms

4 names

Phenol, 4-amino-3-chloro-, hydrochloride (1:1)
Phenol, 4-amino-3-chloro-, hydrochloride
3-Chloro-4-aminophenol hydrochloride
2-Chloro-4-hydroxyaniline hydrochloride

Work with 4-Amino-3-chlorophenol 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-Amino-3-chlorophenol17609-80-2Free base

Similar compounds

3-Amino-4-chlorophenol16026-77-062 % similar 3,3′-Dichlorobenzidine dihydrochloride612-83-962 % similar 4-Aminobenzene-1,3-diol hydrochloride34781-86-760 % similar 2-Chloro-1,4-benzenediamine hydrochloride62106-51-860 % similar 4-Amino-3-fluorophenol hydrochloride18266-53-056 % similar o-Chloroaniline hydrochloride137-04-255 % similar 3,4-Dichlorophenol95-77-254 % similar 3,3′-Dichlorobenzidine91-94-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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