4-Fluoro-3-methylbenzenesulfonyl chloride

C7H6ClFO2SCAS 629672-19-1208.63 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

Danger
Corrosive (GHS05)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
629672-19-1
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)Cl)F
InChIKey
ALEQALYEZFNWOP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClFO2S/c1-5-4-6(12(8,10)11)2-3-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

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

Work with 4-Fluoro-3-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-fluorobenzenesulphonyl chloride91170-93-362 % similar 4-Bromo-3-methylbenzene-1-sulfonyl chloride72256-93-060 % similar 2-Chloro-p-toluenesulfochloride42413-03-657 % similar 4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride1682-10-657 % similar 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-556 % similar 3-Cyano-4-fluorobenzenesulfonyl chloride351003-23-155 % 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-2-methylbenzenesulfonyl chloride7079-48-3 2-Fluoro-5-methylbenzenesulfonyl chloride870704-14-6 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook