2-Fluoro-5-methylbenzenesulfonyl chloride

C7H6ClFO2SCAS 870704-14-6208.63 g/mol

Open in Covalent MOL file
FSOOCl
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 44 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
870704-14-6
SMILES
Cc1ccc(F)c(S(=O)(=O)Cl)c1
InChIKey
MOZTWWZAQLPJMT-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClFO2S/c1-5-2-3-6(9)7(4-5)12(8,10)11/h2-4H,1H3

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Names and synonyms

2 names
  • Benzenesulfonyl chloride, 2-fluoro-5-methyl-
  • 2-Fluoro-5-methylbenzene-1-sulfonyl chloride

Work with 2-Fluoro-5-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

2,5-Dimethylbenzenesulfonyl chloride19040-62-164 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-564 % similar 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-162 % similar 2,4-Dimethylbenzenesulfonyl chloride609-60-959 % similar 6-Methoxy-M-toluenesulfonyl chloride88040-86-257 % similar 2,4,5-Trifluorobenzenesulfonyl chloride220227-21-456 % similar 2-Fluorobenzenesulfonyl chloride2905-21-755 % similar 2,3,4-Trifluorobenzenesulfonyl chloride175278-08-751 % 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 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-2

Elsewhere

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