Cas no 828270-61-7 (Benzene, 2-fluoro-1-methyl-3-(methylsulfonyl)-)

Benzene, 2-fluoro-1-methyl-3-(methylsulfonyl)- structure
828270-61-7 structure
Product Name:Benzene, 2-fluoro-1-methyl-3-(methylsulfonyl)-
CAS No:828270-61-7
MF:C8H9FO2S
MW:188.219264745712
CID:681585
PubChem ID:23160361
Update Time:2025-04-19

Benzene, 2-fluoro-1-methyl-3-(methylsulfonyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2-fluoro-1-methyl-3-(methylsulfonyl)-
    • 2-fluoro-1-methyl-3-methylsulfonylbenzene
    • 828270-61-7
    • NQPFKAHWHCWJFX-UHFFFAOYSA-N
    • 2-Fluoro-1-(methanesulfonyl)-3-methylbenzene
    • SCHEMBL2642642
    • 2-fluoro-1-methyl-3-(methylsulfonyl)benzene
    • DTXSID10631127
    • Inchi: 1S/C8H9FO2S/c1-6-4-3-5-7(8(6)9)12(2,10)11/h3-5H,1-2H3
    • InChI Key: NQPFKAHWHCWJFX-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=CC=C(C)C=1F)(=O)=O

Computed Properties

  • Exact Mass: 188.03072886g/mol
  • Monoisotopic Mass: 188.03072886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 242
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 42.5?2

Benzene, 2-fluoro-1-methyl-3-(methylsulfonyl)- Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Trifluoromethanesulfonic acid ,  Antimony trichloride ;  4 d, 120 °C; cooled
1.2 Reagents: Hydrochloric acid Solvents: Dichloromethane ,  Water ;  rt
Reference
Total synergistic effect between triflic acid and bismuth(III) or antimony(III) chlorides in catalysis of the methanesulfonylation of arenes
Peyronneau, Magali; et al, European Journal of Organic Chemistry, 2004, (22), 4636-4640

Benzene, 2-fluoro-1-methyl-3-(methylsulfonyl)- Preparation Products

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