chempirical

Pentafluorobenzoyl chloride

C7ClF5OCAS 2251-50-5230.52 g/mol

Open in Covalent MOL file
OClFFFFF
Acyl halideAryl halide

Properties

Molecular formula
C7ClF5O
Molar mass
230.52 g/mol
Exact mass
229.9558 Da
Boiling point
158.5 °C
logP
2.76Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
2251-50-5
SMILES
O=C(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIKey
MYHOHFDYWMPGJY-UHFFFAOYSA-N
InChI
InChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10

Weigh it out

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

Names and synonyms

6 names
  • Benzoyl chloride, 2,3,4,5,6-pentafluoro-
  • Benzoyl chloride, pentafluoro-
  • 2,3,4,5,6-Pentafluorobenzoyl chloride
  • Perfluorobenzoyl chloride
  • 2,3,4,5,6-Pentafluorobenzoic acid chloride
  • NSC 97002

Work with Pentafluorobenzoyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,5,6-Tetrafluorobenzoyl chloride107535-73-964 % similar 2,3,4,5-Tetrafluorobenzoyl chloride94695-48-454 % similar 2,6-Difluoro-3-methylbenzoyl chloride261763-39-752 % similar 6-Chloro-2-fluoro-3-methylbenzoyl chloride261762-82-750 % similar Decafluorobenzophenone853-39-450 % similar 3-Chloro-2,6-difluorobenzoyl chloride261762-43-048 % similar 2,6-Difluorobenzoyl chloride18063-02-048 % similar 2,3,5,6-Tetrachloro-1,4-benzenedicarbonyl dichloride719-32-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook