3-Chlorosalicylic acid

C7H5ClO3CAS 1829-32-9172.56 g/mol

Open in Covalent MOL file
OHOClHO
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H5ClO3
Molar mass
172.56 g/mol
Exact mass
171.9927 Da
Density
0.863 g/mL (at 20 °C)
Melting point
180–182 °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 44 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
1829-32-9
SMILES
O=C(O)c1cccc(Cl)c1O
InChIKey
PPINMMULCRBDOS-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 3-chloro-2-hydroxy-
  • Salicylic acid, 3-chloro-
  • 3-Chloro-2-hydroxybenzoic acid
  • NSC 18854

Work with 3-Chlorosalicylic 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-Hydroxy-1,3-benzenedicarboxylic acid606-19-974 % similar 2-Chlorobenzoic acid118-91-269 % similar 2,3-Dihydroxybenzoic acid303-38-865 % similar 2,3-Dichlorobenzoic acid50-45-365 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-164 % similar 4,5-Dichlorophthalic acid56962-08-464 % similar 3,5-Dichlorosalicylic acid320-72-964 % similar 2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-261 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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-5-hydroxybenzoic acid56961-30-9 2-Chloro-6-hydroxybenzoic acid56961-31-0

Elsewhere

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