3,5-Difluorobenzoyl chloride

C7H3ClF2OCAS 129714-97-2176.55 g/mol

Open in Covalent MOL file
FFOCl
Acyl halideAryl halide

Properties

Molecular formula
C7H3ClF2O
Molar mass
176.55 g/mol
Exact mass
175.9840 Da
logP
2.34Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 49 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
129714-97-2
SMILES
C1=C(C=C(C=C1F)F)C(=O)Cl
InChIKey
OYZWEOORLJBPMA-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF2O/c8-7(11)4-1-5(9)3-6(10)2-4/h1-3H

Weigh it out

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

Work with 3,5-Difluorobenzoyl 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-Fluorobenzoyl chloride1711-07-567 % similar 3-Fluoro-5-(trifluoromethyl)benzoyl chloride171243-30-467 % similar Trimesoyl chloride4422-95-164 % similar 4-Fluorobenzoyl chloride403-43-062 % similar 3,4,5-Trifluorobenzoyl chloride177787-26-757 % similar 2,4,6-Trifluorobenzoyl chloride79538-29-757 % similar 3,5-Difluorobenzamide132980-99-552 % similar 3,5-Dichlorobenzoyl chloride2905-62-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-2,4-difluorobenzaldehyde127675-46-1 2-Chloro-4,5-difluorobenzaldehyde165047-23-4 2,6-Difluorobenzoyl chloride18063-02-0 2,3-Difluorobenzoyl chloride18355-73-2 3-Chloro-2,6-difluorobenzaldehyde190011-87-1 4-Chloro-2,6-difluorobenzaldehyde252004-45-8 2-Chloro-3,6-difluorobenzaldehyde261762-39-4 2,5-Difluorobenzoyl chloride35730-09-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook