4-Chlorosalicylic acid

C7H5ClO3CAS 5106-98-9172.56 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
Melting point
211 °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 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
5106-98-9
SMILES
O=C(O)c1ccc(Cl)cc1O
InChIKey
LWXFCZXRFBUOOR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 4-chloro-2-hydroxy-
  • Salicylic acid, 4-chloro-
  • 4-Chloro-2-hydroxybenzoic acid
  • 2-Hydroxy-4-chlorobenzoic acid
  • p-Chlorosalicylic acid
  • NSC 15816

Work with 4-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

4-Chlorophthalic acid89-20-370 % similar 2,4-Dichlorobenzoic acid50-84-066 % similar 3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid861533-46-265 % similar 2-Amino-4-chlorobenzoic acid89-77-064 % similar 2,5-Dichlorobenzoic acid50-79-363 % similar 2-Hydroxyterephthalic acid636-94-263 % similar 2,4-Dihydroxybenzoic acid89-86-163 % similar 4-Chloro-2-iodobenzoic acid13421-13-162 % 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 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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