4-(Trifluoromethoxy)benzenesulfonyl chloride

C7H4ClF3O3SCAS 94108-56-2260.61 g/mol

Open in Covalent MOL file
OSOClOFFF
Alkyl halideEther

Properties

Molecular formula
C7H4ClF3O3S
Molar mass
260.61 g/mol
Exact mass
259.9522 Da
logP
2.51Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
94108-56-2
SMILES
O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1
InChIKey
UHCDBMIOLNKDHG-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClF3O3S/c8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

6 names
  • Benzenesulfonyl chloride, 4-(trifluoromethoxy)-
  • 4-(Trifluoromethoxy)benzenesulfonic acid chloride
  • 4-(Trifluoromethoxy)phenylsulfonyl chloride
  • 4-(Trifluoromethoxy)benzene-1-sulfonyl chloride
  • p-(Trifluoromethoxy)benzenesulfonyl chloride
  • p-(Trifluoromethoxy)benzenesulphonyl chloride

Work with 4-(Trifluoromethoxy)benzenesulfonyl 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

4,4′-Oxybis[benzenesulfonyl chloride]121-63-160 % similar 4-(Trifluoromethoxy)benzenesulfonamide1513-45-759 % similar 4-(Trifluoromethoxy)phenyl methyl sulfone87750-51-459 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-655 % similar 4-Methoxybenzenesulfonyl chloride98-68-055 % similar 4-(Difluoromethoxy)benzenesulfonyl chloride351003-34-454 % similar 4-Phenoxybenzene-1-sulfonyl chloride1623-92-353 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Trifluoromethoxy)benzene-1-sulfonyl chloride103008-51-1 3-(Trifluoromethoxy)benzenesulfonyl chloride220227-84-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook