Pentafluorobenzoyl chloride
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
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 61 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
2251-50-5SMILES
O=C(Cl)c1c(F)c(F)c(F)c(F)c1FInChIKey
MYHOHFDYWMPGJY-UHFFFAOYSA-NInChI
InChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10Weigh 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
2,3,6-Trifluorobenzoyl chloride189807-20-356 % 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
Tanimoto similarity of circular fingerprints over the whole catalogue.