2,3,4,5,6-Pentafluorobenzenesulfonyl chloride

C6ClF5O2SCAS 832-53-1266.57 g/mol

Open in Covalent MOL file
OSOClFFFFF
Aryl halide

Properties

Molecular formula
C6ClF5O2S
Molar mass
266.57 g/mol
Exact mass
265.9228 Da
Boiling point
210.5 °C
logP
2.31Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 50 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
832-53-1
SMILES
O=S(=O)(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIKey
UOJCTEGNHXRPKO-UHFFFAOYSA-N
InChI
InChI=1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12

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Names and synonyms

9 names
  • Benzenesulfonyl chloride, 2,3,4,5,6-pentafluoro-
  • Benzenesulfonyl chloride, pentafluoro-
  • Pentafluorobenzenesulfonyl chloride
  • Pentafluorophenylsulfonyl chloride
  • NSC 96998
  • Pentafluororbenzenesulfonyl chloride
  • 2,3,4,5,6-Pentafluorobenzene-1-sulfonyl chloride
  • Perfluorobenzenesulfonyl chloride
  • 2,3,4,5,6-Pentafluorophenylsulfonyl chloride

Work with 2,3,4,5,6-Pentafluorobenzenesulfonyl 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

2,6-Difluorobenzenesulfonyl chloride60230-36-648 % similar 3,4,5-Trifluorobenzenesulfonyl chloride351003-43-546 % similar Pentamethylbenzenesulfonyl chloride52499-94-244 % similar 2,3,4-Trifluorobenzenesulfonyl chloride175278-08-743 % similar 3-Chloro-2-fluorobenzenesulfonyl chloride351003-48-042 % similar 2,6-Dichlorobenzenesulfonylchloride6579-54-041 % similar 1,2-Benzenedisulfonyl dichloride6461-76-340 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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