5-Chloro-2,4-difluorobenzoic acid

C₇H₃ClF₂O₂CAS 130025-33-1192.55 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₃ClF₂O₂
Molar mass: 192.55 g/mol
Exact mass: 191.9790 Da
logP: 2.32Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

130025-33-1

SMILES

C1=C(C(=CC(=C1Cl)F)F)C(=O)O

InChIKey

VXBQLSVFGIFOPQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H,11,12)

Weigh it out

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

Work with 5-Chloro-2,4-difluorobenzoic 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

2,4-Dichloro-5-fluorobenzoic acid86522-89-674 % similar 2,4,5-Trifluorobenzoic acid446-17-369 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-162 % similar 4,5-Dichlorophthalic acid56962-08-462 % similar 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid56447-54-259 % similar 5-Bromo-2,4-difluorobenzoic acid28314-83-259 % similar 2,4-Difluoro-5-methylbenzoic acid367954-99-259 % similar 4-Chloro-2-fluoro-5-nitrobenzoic acid35112-05-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4,5-difluorobenzoic acid110877-64-0 4-Chloro-2,5-difluorobenzoic acid132794-07-1 4-Chloro-2,3-difluorobenzoic acid150444-94-3 3-Chloro-4,5-difluorobenzoic acid150444-95-4 3-Chloro-2,4-difluorobenzoic acid154257-75-7 3-Chloro-2,6-difluorobenzoic acid225104-76-7 2-Chloro-3,6-difluorobenzoic acid287172-74-1 5-Chloro-2,2-difluoro-1,3-benzodioxole72769-08-5

Elsewhere

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