2,3,4-Trifluorobenzoyl chloride

C7H2ClF3OCAS 157373-08-5194.54 g/mol

Open in Covalent MOL file
OClFFF
Acyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 83 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
157373-08-5
SMILES
C1=CC(=C(C(=C1C(=O)Cl)F)F)F
InChIKey
NXRQXCFBZGIRGN-UHFFFAOYSA-N
InChI
InChI=1S/C7H2ClF3O/c8-7(12)3-1-2-4(9)6(11)5(3)10/h1-2H

Weigh it out

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

Work with 2,3,4-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

3-Chloro-2,4-difluorobenzoyl chloride157373-00-771 % similar 2,3-Difluorobenzoyl chloride18355-73-270 % similar 2,3,4,5-Tetrafluorobenzoyl chloride94695-48-467 % similar 2,3-Difluoro-4-methylbenzoyl chloride261763-38-663 % similar 2,3,4-Trifluorobenzamide207919-09-356 % similar 1-(2,3,4-Trifluorophenyl)ethan-1-one243448-15-956 % similar 2,3,4-Trifluorobenzoic acid61079-72-956 % similar 2-Fluorobenzoyl chloride393-52-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4,5-Trifluorobenzoyl chloride177787-26-7 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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