4-Trifluoromethoxybenzoyl chloride

C₈H₄ClF₃O₂CAS 36823-88-8224.56 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
Boiling point: 85–86 °C (at 17 Torr)
logP: 2.96Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

36823-88-8

SMILES

O=C(Cl)c1ccc(OC(F)(F)F)cc1

InChIKey

ZXKKOFJYPRJFIE-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

4 names

Benzoyl chloride, 4-(trifluoromethoxy)-
4-(Trifluoromethoxy)benzoyl chloride
p-Trifluoromethoxybenzoyl chloride
4-(Trifluoromethoxy)-1-benzenecarbonyl chloride

Work with 4-Trifluoromethoxybenzoyl 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

4,4′-Oxydibenzoyl chloride7158-32-960 % similar 4-(Trifluoromethoxy)benzoic acid330-12-159 % similar 1-[4-(Trifluoromethoxy)phenyl]ethanone85013-98-559 % similar Terephthaloyl chloride100-20-956 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-755 % similar 4-(Trifluoromethoxy)phenacyl bromide103962-10-354 % similar 2-Methyl-1-[4-(trifluoromethoxy)phenyl]-1-propanone56425-84-454 % similar 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride127163-51-351 % 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 5-Chloro-2-(trifluoromethyl)benzoic acid654-98-8 2-Chloro-5-(trifluoromethyl)benzoic acid657-06-7

Elsewhere

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