chempirical

3,5-Bis(trifluoromethyl)benzenesulfonyl chloride

C8H3ClF6O2SCAS 39234-86-1312.61 g/mol

Open in Covalent MOL file
OSOClFFFFFF
Alkyl halide

Properties

Molecular formula
C8H3ClF6O2S
Molar mass
312.61 g/mol
Exact mass
311.9446 Da
logP
3.65Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
39234-86-1
SMILES
O=S(=O)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
BTRCVKADYDVSLI-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Benzenesulfonyl chloride, 3,5-bis(trifluoromethyl)-
  • 3,5-Di(trifluoromethyl)benzenesulfonyl chloride
  • 3,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride
  • 3,5-Di(trifluoromethyl)benzene-1-sulfonyl chloride

Work with 3,5-Bis(trifluoromethyl)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-(Trifluoromethyl)benzenesulfonyl chloride2991-42-666 % similar 2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-76-259 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-550 % similar 4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride351003-47-949 % similar 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride54403-98-449 % similar 5-(Trifluoromethyl)-2-pyridinesulfonyl chloride174485-72-447 % similar 3,5-Dimethylbenzenesulfonyl chloride2905-27-345 % similar 1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-345 % similar

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

Same formula

2,5-Bis(trifluoromethyl)benzenesulfonyl chloride351003-22-0

Elsewhere

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