3,4,5-Trifluorobenzoyl chloride

C₇H₂ClF₃OCAS 177787-26-7194.54 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₂ClF₃O
Molar mass: 194.54 g/mol
Exact mass: 193.9746 Da
logP: 2.48Crippen 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 45 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

177787-26-7

SMILES

C1=C(C=C(C(=C1F)F)F)C(=O)Cl

InChIKey

YRUNCQNKZIQTEO-UHFFFAOYSA-N

InChI

InChI=1S/C7H2ClF3O/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2H

Weigh it out

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

Work with 3,4,5-Trifluorobenzoyl 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

2,3,5,6-Tetrafluorobenzoyl chloride107535-73-964 % similar 3,4-Difluorobenzoyl chloride76903-88-362 % similar 2,3,4,5-Tetrafluorobenzoyl chloride94695-48-460 % similar Trimesoyl chloride4422-95-158 % similar 3,5-Difluorobenzoyl chloride129714-97-257 % similar 3,4,5-Trifluorobenzamide78324-75-155 % similar 3-Fluoro-4-methylbenzoyl chloride59189-97-855 % similar 3,4,5-Trifluorobenzoic acid121602-93-553 % similar

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

Same formula

2,3,4-Trifluorobenzoyl chloride157373-08-5 2,3,6-Trifluorobenzoyl chloride189807-20-3 2,3,5-Trifluorobenzoyl chloride240800-48-0 2,4,6-Trifluorobenzoyl chloride79538-29-7 2,4,5-Trifluorobenzoyl chloride88419-56-1

Elsewhere

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