chempirical

2-Trifluoromethylbenzylsulfonyl chloride

C8H6ClF3O2SCAS 85952-32-5258.64 g/mol

Open in Covalent MOL file
SOOClFFF
Alkyl halide

Properties

Molecular formula
C8H6ClF3O2S
Molar mass
258.64 g/mol
Exact mass
257.9729 Da
logP
2.77Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
85952-32-5
SMILES
C1=CC=C(C(=C1)CS(=O)(=O)Cl)C(F)(F)F
InChIKey
RFFCAUGRAMHQSO-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2

Weigh it out

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

Work with 2-Trifluoromethylbenzylsulfonyl 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

2-(Trifluoromethyl)benzenemethanesulfonamide112941-35-261 % similar 2-Trifluoromethylbenzyl chloride21742-00-753 % similar 2-Trifluoromethylbenzenesulphonyl chloride776-04-549 % similar 2-(Trifluoromethyl)benzylamine3048-01-949 % similar 2-(Trifluoromethyl)benzylic alcohol346-06-549 % similar 2-Trifluoromethylbenzyl bromide395-44-849 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-947 % similar Benzenemethanesulfonyl chloride1939-99-747 % similar

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

Elsewhere

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