chempirical

3-Fluoro-4-methylbenzenesulfonyl chloride

C7H6ClFO2SCAS 90260-13-2208.63 g/mol

Open in Covalent MOL file
SOOClF
Aryl halide

Properties

Molecular formula
C7H6ClFO2S
Molar mass
208.63 g/mol
Exact mass
207.9761 Da
logP
2.06Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
90260-13-2
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)Cl)F
InChIKey
YDUHIMCRFRIVFI-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClFO2S/c1-5-2-3-6(4-7(5)9)12(8,10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 3-Fluoro-4-methylbenzene-1-sulfonyl chloride

Work with 3-Fluoro-4-methylbenzenesulfonyl 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

3,4-Difluorobenzenesulfonyl chloride145758-05-068 % similar 3,4-Dimethylbenzenesulfonyl chloride2905-30-868 % similar 3-Chloro-4-methylbenzenesulfonyl chloride42413-03-662 % similar 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-560 % similar 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-357 % similar 4-Bromo-3-methylbenzene-1-sulfonyl chloride72256-93-056 % similar 3,4,5-Trifluorobenzenesulfonyl chloride351003-43-555 % similar 4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride1682-10-653 % similar

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

Same formula

(4-Fluoro-phenyl)-methanesulfonyl chloride103360-04-9 5-Fluoro-2-methylbenzenesulfonyl chloride445-05-6 2-Fluoro-4-methylbenzenesulfonyl chloride518070-29-6 4-Fluoro-3-methylbenzenesulfonyl chloride629672-19-1 4-Fluoro-2-methylbenzenesulfonyl chloride7079-48-3 2-Fluoro-5-methylbenzenesulfonyl chloride870704-14-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook