3,4-Difluorobenzoyl chloride

C7H3ClF2OCAS 76903-88-3176.55 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
53–54 °C
Boiling point
61–63 °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
Corrosive (GHS05)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
76903-88-3
SMILES
O=C(Cl)c1ccc(F)c(F)c1
InChIKey
RPQWXGVZELKOEU-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF2O/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3H

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Names and synonyms

1 names
  • Benzoyl chloride, 3,4-difluoro-

Work with 3,4-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-Chloro-4-fluorobenzoyl chloride65055-17-670 % similar 4-Fluoro-3-methylbenzoyl chloride455-84-568 % similar 3-Fluoro-4-methylbenzoyl chloride59189-97-868 % similar 3-Bromo-4-fluorobenzoyl chloride672-75-368 % similar 3-Fluoro-4-methoxybenzoyl chloride3907-15-167 % similar 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-264 % similar 4-Fluoro-3-(trifluoromethyl)benzoyl chloride67515-56-464 % similar 3,4,5-Trifluorobenzoyl chloride177787-26-762 % 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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