2-Chloro-4-fluorobenzoic acid

C₇H₄ClFO₂CAS 2252-51-9174.56 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄ClFO₂
Molar mass: 174.56 g/mol
Exact mass: 173.9884 Da
Melting point: 181–182 °C
logP: 2.18Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed83.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage81.6% of notifiers
H319 Causes serious eye irritation18.4% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2252-51-9

SMILES

O=C(O)c1ccc(F)cc1Cl

InChIKey

GRPWQLDSGNZEQE-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

Benzoic acid, 2-chloro-4-fluoro-

Work with 2-Chloro-4-fluorobenzoic 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-Fluorophthalic acid320-97-868 % similar 2,4-Difluorobenzoic acid1583-58-064 % similar 2,4-Dichlorobenzoic acid50-84-064 % similar 2-Chloro-4-fluorobenzoyl chloride21900-54-962 % similar 4-Fluoro-2-hydroxybenzoic acid345-29-962 % similar 2-Amino-4-fluorobenzoic acid446-32-262 % similar 2-Chloro-4-hydroxybenzoic acid56363-84-962 % similar 2-Bromo-4-fluorobenzoic acid1006-41-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-fluorobenzoic acid102940-86-3 3-Chloro-2-fluorobenzoic acid161957-55-7 2-Chloro-5-fluorobenzoic acid2252-50-8 3-Chloro-5-fluorobenzoic acid25026-64-6 4-Fluorophenyl chloroformate38377-38-7 5-Chloro-2-fluorobenzoic acid394-30-9 3-Chloro-4-fluorobenzoic acid403-16-7 4-Chloro-3-fluorobenzoic acid403-17-8

Elsewhere

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