2,5-Difluorobenzoyl chloride

C7H3ClF2OCAS 35730-09-7176.55 g/mol

Open in Covalent MOL file
OClFF
Acyl halideAryl halide

Properties

Molecular formula
C7H3ClF2O
Molar mass
176.55 g/mol
Exact mass
175.9840 Da
Melting point
73–74 °C
Boiling point
74–78 °C (at 15 Torr)
logP
2.34Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
35730-09-7
SMILES
O=C(Cl)c1cc(F)ccc1F
InChIKey
RLRUKKDFNWXXRT-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H

Weigh it out

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

Names and synonyms

1 names
  • Benzoyl chloride, 2,5-difluoro-

Work with 2,5-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

2,4-Difluorobenzoyl chloride72482-64-573 % similar 2-Chloro-5-fluorobenzoyl chloride21900-51-666 % similar 5-Chloro-2-fluorobenzoyl chloride394-29-666 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-264 % similar 2-Fluoro-5-iodobenzoyl chloride186584-73-664 % similar 5-Fluoro-2-methylbenzoyl chloride21900-39-064 % similar 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-262 % similar 2-Chloro-4-fluorobenzoyl chloride21900-54-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-2,4-difluorobenzaldehyde127675-46-1 3,5-Difluorobenzoyl chloride129714-97-2 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

Elsewhere

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