4-Chloro-2,5-difluorobenzoyl chloride

C₇H₂Cl₂F₂OCAS 132794-08-2210.99 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₂Cl₂F₂O
Molar mass: 210.99 g/mol
Exact mass: 209.9451 Da
logP: 3.00Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

132794-08-2

SMILES

O=C(Cl)c1cc(F)c(Cl)cc1F

InChIKey

DFLRZGOHFNFBQS-UHFFFAOYSA-N

InChI

InChI=1S/C7H2Cl2F2O/c8-4-2-5(10)3(7(9)12)1-6(4)11/h1-2H

Weigh it out

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

Names and synonyms

2 names

Benzoyl chloride, 4-chloro-2,5-difluoro-
2,5-Difluoro-4-chlorobenzoyl chloride

Work with 4-Chloro-2,5-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

2,4-Dichloro-5-fluorobenzoyl chloride86393-34-279 % similar 2,4,5-Trifluorobenzoyl chloride88419-56-171 % similar 4-Chloro-2,5-difluorobenzoic acid132794-07-161 % similar 4'-Chloro-2',5'-difluoroacetophenone655-12-961 % similar 5-Chloro-2-fluorobenzoyl chloride394-29-656 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-856 % similar 3-Chloro-4-fluorobenzoyl chloride65055-17-656 % similar 2,3,4,5-Tetrafluorobenzoyl chloride94695-48-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-2,4-difluorobenzoyl chloride157373-00-7 2-Chloro-3,6-difluorobenzoyl chloride261762-42-9 3-Chloro-2,6-difluorobenzoyl chloride261762-43-0

Elsewhere

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