3-Amino-2,4-dichlorophenol hydrochloride

C₆H₆Cl₃NOCAS 61693-43-4214.47 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₆Cl₃NO
Molar mass: 214.47 g/mol
Exact mass: 212.9515 Da
logP: 2.70Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation12.5% of notifiers
H317 May cause an allergic skin reaction93.8% of notifiers
H318 Causes serious eye damage87.5% of notifiers
H319 Causes serious eye irritation12.5% of notifiers
H335 May cause respiratory irritation12.5% of notifiers
H411 Toxic to aquatic life with long lasting effects87.5% of notifiers

Aggregated from 16 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

61693-43-4

SMILES

Cl.Nc1c(Cl)ccc(O)c1Cl

InChIKey

MQWQWQBIVSVACH-UHFFFAOYSA-N

InChI

InChI=1S/C6H5Cl2NO.ClH/c7-3-1-2-4(10)5(8)6(3)9;/h1-2,10H,9H2;1H

Weigh it out

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

Names and synonyms

3 names

2,4-Dichloro-3-aminophenol hydrochloride
Phenol, 3-amino-2,4-dichloro-, hydrochloride (1:1)
Phenol, 3-amino-2,4-dichloro-, hydrochloride

Work with 3-Amino-2,4-dichlorophenol 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

Similar compounds

2,3,4-Trichlorophenol15950-66-055 % similar 2-Aminoresorcinol hydrochloride634-60-650 % similar 2,6-Dichloro-3-methylaniline64063-37-248 % similar 2,3-Dichlorophenol576-24-945 % similar 2,6-Dichloroaniline608-31-141 % similar 2-Chlororesorcinol6201-65-641 % similar 4-Amino-2-chlorophenol3964-52-141 % similar 5-Amino-2-chlorophenol6358-06-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook