2,3,5-Trifluorobenzoyl chloride

C₇H₂ClF₃OCAS 240800-48-0194.54 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

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

240800-48-0

SMILES

O=C(Cl)c1cc(F)cc(F)c1F

InChIKey

QTIPHWWHHRFTNO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Benzoyl chloride, 2,3,5-trifluoro-

Work with 2,3,5-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

2,3,4,5-Tetrafluorobenzoyl chloride94695-48-468 % similar 2,3,5,6-Tetrafluorobenzoyl chloride107535-73-961 % similar 2,5-Difluorobenzoyl chloride35730-09-761 % similar 2,4-Difluorobenzoyl chloride72482-64-561 % similar 2,3,5-Trifluorobenzoic acid654-87-559 % similar 2,3-Difluorobenzoyl chloride18355-73-256 % similar 2,4,5-Trifluoro-3-methoxybenzoyl chloride112811-66-255 % similar 3,5-Difluorobenzoyl chloride129714-97-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4-Trifluorobenzoyl chloride157373-08-5 3,4,5-Trifluorobenzoyl chloride177787-26-7 2,3,6-Trifluorobenzoyl chloride189807-20-3 2,4,6-Trifluorobenzoyl chloride79538-29-7 2,4,5-Trifluorobenzoyl chloride88419-56-1

Elsewhere

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