3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride

C₈H₂Cl₂F₄OCAS 261763-03-5261.00 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₂Cl₂F₄O
Molar mass: 261.00 g/mol
Exact mass: 259.9419 Da
logP: 3.88Crippen 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

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

261763-03-5

SMILES

O=C(Cl)c1cc(C(F)(F)F)cc(Cl)c1F

InChIKey

WWXKIEVIKMYSCL-UHFFFAOYSA-N

InChI

InChI=1S/C8H2Cl2F4O/c9-5-2-3(8(12,13)14)1-4(6(5)11)7(10)15/h1-2H

Weigh it out

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

Names and synonyms

2 names

Benzoyl chloride, 3-chloro-2-fluoro-5-(trifluoromethyl)-
3-Chloro-2-fluoro-5-trifluoromethylbenzoyl chloride

Work with 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl 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

3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid129931-45-967 % similar 2-Chloro-5-(trifluoromethyl)benzoyl chloride657-05-663 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-761 % similar 3-Chloro-2-fluorobenzoyl chloride85345-76-257 % similar 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-256 % similar 3-Chloro-4,5-difluorobenzotrifluoride77227-99-754 % similar 2,5-Bis(trifluoromethyl)benzoyl chloride393-82-853 % similar 3,5-Bis(trifluoromethyl)benzoyl chloride785-56-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone1190865-44-1 2-Chloro-3-fluoro-6-(trifluoromethyl)benzoyl chloride186517-45-3

Elsewhere

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