4-(Trifluoromethoxy)benzenesulfonyl chloride

C₇H₄ClF₃O₃SCAS 94108-56-2260.61 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₇H₄ClF₃O₃S
Molar mass: 260.61 g/mol
Exact mass: 259.9522 Da
logP: 2.51Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

5 names

Benzenesulfonyl chloride, 4-(trifluoromethoxy)-
4-(Trifluoromethoxy)benzenesulfonic acid chloride
4-(Trifluoromethoxy)phenylsulfonyl chloride
4-(Trifluoromethoxy)benzene-1-sulfonyl chloride
p-(Trifluoromethoxy)benzenesulfonyl 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-(Trifluoromethyl)benzenesulfonyl chloride2991-42-655 % similar 4-Methoxybenzenesulfonyl chloride98-68-055 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-850 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-650 % similar 4-Fluorobenzenesulfonyl chloride349-88-250 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-450 % similar

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

Same formula

2-(Trifluoromethoxy)benzene-1-sulfonyl chloride103008-51-1

Elsewhere

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