3-(Trifluoromethoxy)benzoyl chloride

C₈H₄ClF₃O₂CAS 86270-03-3224.56 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide Ether

Properties

Molecular formula: C₈H₄ClF₃O₂
Molar mass: 224.56 g/mol
Exact mass: 223.9852 Da
logP: 2.96Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

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

86270-03-3

SMILES

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

InChIKey

MGKIOAXLPYJSMU-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClF3O2/c9-7(13)5-2-1-3-6(4-5)14-8(10,11)12/h1-4H

Weigh it out

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

Work with 3-(Trifluoromethoxy)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-(Trifluoromethoxy)benzamide658-91-365 % similar 3-(Trifluoromethoxy)benzoic acid1014-81-963 % similar 3'-(Trifluoromethoxy)acetophenone170141-63-663 % similar Methyl 3-(trifluoromethoxy)benzoate148438-00-062 % similar 3-Methoxybenzoyl chloride1711-05-359 % similar Isophthaloyl chloride99-63-856 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-255 % similar 3-Ethoxybenzoyl chloride61956-65-855 % similar

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

Same formula

2,4,5-Trifluoro-3-methoxybenzoyl chloride112811-66-2 4-Chloro-2-(trifluoromethyl)benzoic acid142994-09-0 2-(Trifluoromethoxy)benzoyl chloride162046-61-9 4-Chloro-3-(trifluoromethyl)benzoic acid1737-36-6 2-Chloro-4-trifluoromethylbenzoic acid23228-45-7 2-Chloro-6-(trifluoromethyl)be2376-00-3 4-Trifluoromethoxybenzoyl chloride36823-88-8 2-Chloro-3-(trifluoromethyl)benzoic acid39226-97-6

Elsewhere

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