2-Chloro-5-(trifluoromethyl)benzoyl chloride

C₈H₃Cl₂F₃OCAS 657-05-6243.01 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₃Cl₂F₃O
Molar mass: 243.01 g/mol
Exact mass: 241.9513 Da
logP: 3.74Crippen 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 5 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

657-05-6

SMILES

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

InChIKey

FRARPACTAFPNNL-UHFFFAOYSA-N

InChI

InChI=1S/C8H3Cl2F3O/c9-6-2-1-4(8(11,12)13)3-5(6)7(10)14/h1-3H

Weigh it out

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

Work with 2-Chloro-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

2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-269 % similar 2,5-Bis(trifluoromethyl)benzoyl chloride393-82-869 % similar 2-Chloro-5-(trifluoromethyl)benzoic acid657-06-765 % similar 2'-Chloro-5'-(trifluoromethyl)acetophenone71648-45-865 % similar 2,4-Bis(trifluoromethyl)benzoyl chloride53130-43-164 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride261763-03-563 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-062 % similar 2-Chloro-5-(trifluoromethyl)benzophenone789-96-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone130336-16-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook