3,5-Dichlorosalicylic acid

C₇H₄Cl₂O₃CAS 320-72-9207.01 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₄Cl₂O₃
Molar mass: 207.01 g/mol
Exact mass: 205.9537 Da
Melting point: 220–221 °C
logP: 2.40Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed58.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation99.5% of notifiers

Aggregated from 182 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

320-72-9

SMILES

O=C(O)c1cc(Cl)cc(Cl)c1O

InChIKey

CNJGWCQEGROXEE-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 3,5-dichloro-2-hydroxy-
Salicylic acid, 3,5-dichloro-
3,5-Dichloro-2-hydroxybenzoic acid
2-Hydroxy-3,5-dichlorobenzoic acid
NSC 30109

Work with 3,5-Dichlorosalicylic 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

2,3,5-Trichlorobenzoic acid50-73-767 % similar 3-Chlorosalicylic acid1829-32-964 % similar 3,5-Dichloroanthranilic acid2789-92-663 % similar 3',5'-Dichloro-2'-hydroxyacetophenone3321-92-463 % similar 2,5-Dichlorobenzoic acid50-79-361 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-160 % similar 4,5-Dichlorophthalic acid56962-08-460 % similar 2,4,6-Trichlorobenzoic acid50-43-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dichloro-4-hydroxybenzoic acid3336-41-2 3,6-Dichlorosalicylic acid3401-80-7

Elsewhere

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