5-Chlorosalicylic acid

C₇H₅ClO₃CAS 321-14-2172.56 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₅ClO₃
Molar mass: 172.56 g/mol
Exact mass: 171.9927 Da
Melting point: 171.5 °C
logP: 1.74Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed98.3% of notifiers
H315 Causes skin irritation94.8% of notifiers
H319 Causes serious eye irritation94.8% of notifiers
H335 May cause respiratory irritation25.9% of notifiers

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

321-14-2

SMILES

O=C(O)c1cc(Cl)ccc1O

InChIKey

NKBASRXWGAGQDP-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)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

5 names

Benzoic acid, 5-chloro-2-hydroxy-
Salicylic acid, 5-chloro-
5-Chloro-2-hydroxybenzoic acid
2-Hydroxy-5-chlorobenzoic acid
NSC 30111

Work with 5-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 2,5-Dichlorobenzoic acid50-79-368 % similar 4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-665 % similar 5-Chloro-2-hydroxybenzamide7120-43-664 % similar Gentisic acid490-79-963 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 5-Chloro-2-iodobenzoic acid13421-00-662 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chlorosalicylic acid1829-32-9 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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