2,4-Difluorobenzoyl chloride

C₇H₃ClF₂OCAS 72482-64-5176.55 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₃ClF₂O
Molar mass: 176.55 g/mol
Exact mass: 175.9840 Da
Melting point: 70–71 °C
Boiling point: 68–70 °C (at 19 Torr)
logP: 2.34Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage39% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

72482-64-5

SMILES

O=C(Cl)c1ccc(F)cc1F

InChIKey

JSWRVDNTKPAJLB-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H

Weigh it out

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

Names and synonyms

3 names

Benzoyl chloride, 2,4-difluoro-
2,4-Difluorobenzoyl chloride acid chloride
2,4-Difluorobenzoic acid chloride

Work with 2,4-Difluorobenzoyl chloride

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

2,5-Difluorobenzoyl chloride35730-09-773 % similar 2-Chloro-4-fluorobenzoyl chloride21900-54-966 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-866 % similar 4-Bromo-2-fluorobenzoyl chloride151982-51-364 % similar 2-Chloro-5-fluorobenzoyl chloride21900-51-661 % similar 2,3,5-Trifluorobenzoyl chloride240800-48-061 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-060 % similar 4-Fluoro-2-(trifluoromethyl)benzoyl chloride189807-21-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-2,4-difluorobenzaldehyde127675-46-1 3,5-Difluorobenzoyl chloride129714-97-2 2-Chloro-4,5-difluorobenzaldehyde165047-23-4 2,6-Difluorobenzoyl chloride18063-02-0 2,3-Difluorobenzoyl chloride18355-73-2 3-Chloro-2,6-difluorobenzaldehyde190011-87-1 4-Chloro-2,6-difluorobenzaldehyde252004-45-8 2-Chloro-3,6-difluorobenzaldehyde261762-39-4

Elsewhere

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