2,4-Bis(trifluoromethyl)benzoyl chloride

C₉H₃ClF₆OCAS 53130-43-1276.56 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₉H₃ClF₆O
Molar mass: 276.56 g/mol
Exact mass: 275.9777 Da
logP: 4.10Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

53130-43-1

SMILES

C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl

InChIKey

TZXHEDOCQVTEPT-UHFFFAOYSA-N

InChI

InChI=1S/C9H3ClF6O/c10-7(17)5-2-1-4(8(11,12)13)3-6(5)9(14,15)16/h1-3H

Weigh it out

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

Work with 2,4-Bis(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

2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-069 % similar 4-Fluoro-2-(trifluoromethyl)benzoyl chloride189807-21-469 % similar 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-266 % similar 2-Chloro-5-(trifluoromethyl)benzoyl chloride657-05-664 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-762 % similar 2,4-Bis(trifluoromethyl)benzoic acid32890-87-261 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-756 % similar 5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone1125812-58-9 2,5-Bis(trifluoromethyl)benzoyl chloride393-82-8 2,6-Bis(trifluoromethyl)benzoyl chloride53130-44-2 3,5-Bis(trifluoromethyl)benzoyl chloride785-56-8

Elsewhere

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