Cas no 828270-58-2 (2-Fluoro-5-(methylsulfonyl)toluene)

2-Fluoro-5-(methylsulfonyl)toluene structure
828270-58-2 structure
Product Name:2-Fluoro-5-(methylsulfonyl)toluene
CAS No:828270-58-2
MF:C8H9FO2S
MW:188.219264745712
MDL:MFCD15527249
CID:681588
Update Time:2024-10-27

2-Fluoro-5-(methylsulfonyl)toluene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-fluoro-2-methyl-4-(methylsulfonyl)-
    • 2-Fluoro-5-(methylsulfonyl)toluene
    • 1-fluoro-2-methyl-4-(methylsulfonyl)benzene
    • 1-fluoro-2-methyl-4-methylsulfonylbenzene
    • 1-fluoro-4-methanesulfonyl-2-methyl-benzene
    • 4-fluoro-3-methylphenyl methyl sulfone
    • 1-Fluoro-2-methyl-4-(methylsulfonyl)benzene (ACI)
    • 1-Fluoro-4-methylsulfonyl-2-methylbenzene
    • MDL： MFCD15527249
    • Inchi： 1S/C8H9FO2S/c1-6-5-7(12(2,10)11)3-4-8(6)9/h3-5H,1-2H3
    • InChI Key： DCBXIJWSGFNBFS-UHFFFAOYSA-N
    • SMILES： O=S(C)(C1C=C(C)C(F)=CC=1)=O

Computed Properties

  • Exact Mass: 188.03100
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1

Experimental Properties

  • PSA: 42.52000
  • LogP: 2.61840

2-Fluoro-5-(methylsulfonyl)toluene Pricemore >>

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TRC
F791855-50mg
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2-Fluoro-5-(methylsulfonyl)toluene 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

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