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CS-W001157 4
Total: USD 88.00

1-Fluoro-2-(methylsulfonyl)benzene

  • CAS No. 654-47-7

  • Cat. No. CS-0191253
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

1-Fluoro-2-(methylsulfonyl)benzene|CS-0191253

Structure of 654-47-7

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General Information

  • CAS No. 654-47-7
  • Cat. No. CS-0191253
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇FO₂S
  • Molecular Weight 174.19
  • Synonym(s) 2-Fluorophenyl methyl sulfone
  • SMILES CS(=O)(=O)C1=CC=CC=C1F

Synthesis

  • Route1
    • 2-Fluorothioanisole|CS-0194961
      655-20-9
    • ~58%
    • 1-Fluoro-2-(methylsulfonyl)benzene|CS-0191253
      654-47-7

    References

    • Takahashi, Toshiyuki; Sakuraba, Aya; Hirohashi, Tomoko; Shibata, Takunobu; Hirose, Masaaki; Haga, Yuji; Nonoshita, Katsumasa; Kanno, Tetsuya; Ito, Junko; Iwaasa, Hisashi; Kanatani, Akio; Fukami, Takehiro; Sato, Nagaaki Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 22 p. 7501 - 7511
  • Route2

    References

    • European Journal of Organic Chemistry, , # 22 p. 4636 - 4640
  • Route3

    References

    • Organic and Biomolecular Chemistry, , vol. 2, # 21 p. 3150 - 3154

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.2292
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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