2-Chloro-5-hydroxybenzoic acid

C7H5ClO3CAS 56961-30-9172.56 g/mol

Open in Covalent MOL file
OHOOHCl
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H5ClO3
Molar mass
172.56 g/mol
Exact mass
171.9927 Da
Melting point
168–170 °C
logP
1.74Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 11 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
56961-30-9
SMILES
O=C(O)c1cc(O)ccc1Cl
InChIKey
UTVCLUZQPSRKMY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,(H,10,11)

Weigh it out

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

Names and synonyms

3 names
  • Benzoic acid, 2-chloro-5-hydroxy-
  • 4-Chloro-3-carboxyphenol
  • 2-Chloro-5-hydroxybenzenecarboxylic acid

Work with 2-Chloro-5-hydroxybenzoic acid

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

2,5-Dichlorobenzoic acid50-79-368 % similar 5-Bromo-2-chlorobenzoic acid21739-92-467 % similar 4-Hydroxyphthalic acid610-35-567 % similar Gentisic acid490-79-963 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-162 % similar 2-Chloro-5-iodobenzoic acid19094-56-562 % similar 2-Chloro-5-fluorobenzoic acid2252-50-862 % similar 2-Chloro-5-methylbenzoic acid6342-60-562 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chlorosalicylic acid1829-32-9 5-Chlorosalicylic acid321-14-2 4-Chloro-3-hydroxybenzoic acid34113-69-4 3-Chloro-4-hydroxybenzoic acid3964-58-7 4-Chlorosalicylic acid5106-98-9 3-Chloro-5-hydroxybenzoic Acid53984-36-4 2-Chloro-4-hydroxybenzoic acid56363-84-9 2-Chloro-6-hydroxybenzoic acid56961-31-0

Elsewhere

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