2,6-Difluorobenzoyl chloride

C7H3ClF2OCAS 18063-02-0176.55 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
Boiling point
72–77 °C (at 13 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 64 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
18063-02-0
SMILES
O=C(Cl)c1c(F)cccc1F
InChIKey
QRHUZEVERIHEPT-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF2O/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Benzoyl chloride, 2,6-difluoro-
  • 2,6-Difluorobenzene-1-carbonyl chloride

Work with 2,6-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-Chloro-6-fluorobenzoyl chloride79455-63-378 % similar 2-Fluoro-6-methylbenzoyl chloride535961-78-572 % similar 2,3,6-Trifluorobenzoyl chloride189807-20-370 % similar 2-Chloro-3,6-difluorobenzoyl chloride261762-42-968 % similar 2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-568 % similar 2-Fluoro-6-methoxybenzoyl chlorid500912-12-966 % similar 3-Chloro-2,6-difluorobenzoyl chloride261762-43-061 % similar 2-Fluorobenzoyl chloride393-52-261 % 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 2,3-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

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