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CS-W001157 4
Total: USD 88.00

1-Fluoro-4-((trifluoromethyl)sulfonyl)benzene

  • CAS No. 944-30-9

  • Cat. No. CS-0497957
  • Purity≥98%
  • MDL No.MFCD00474658

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

1-Fluoro-4-((trifluoromethyl)sulfonyl)benzene|CS-0497957

Structure of 944-30-9

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General Information

  • CAS No. 944-30-9
  • Cat. No. CS-0497957
  • Purity ≥98%
  • MDL No. MFCD00474658
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₄O₂S
  • Molecular Weight 228.16
  • Synonym(s) 1-Fluoro-4-(trifluoromethylsulfonyl)benzene
  • SMILES O=S(C1=CC=C(F)C=C1)(C(F)(F)F)=O

Synthesis

  • Route1

    References

    • Lin, Xiaoxi; Wang, Guimei; Li, Huaifeng; Huang, Yuanyuan; He, Weiming; Ye, Dandan; Huang, Kuo-Wei; Yuan, Yaofeng; Weng, Zhiqiang Tetrahedron, 2013 , vol. 69, # 12 p. 2628 - 2632
  • Route2
    • 1-Fluoro-4-[(trifluoromethyl)sulfanyl]benzene|CS-0234094
      940-76-1
    • ~96%
    • 1-Fluoro-4-((trifluoromethyl)sulfonyl)benzene|CS-0497957
      944-30-9

    References

    • Xu, Liang; Cheng, Jie; Trudell, Mark L. Journal of Organic Chemistry, 2003 , vol. 68, # 13 p. 5388 - 5391
  • Route3
    • 1-Nitro-4-trifluoromethanesulfonylbenzene|CS-0216453
      432-87-1
    • ~91%
    • 1-Fluoro-4-((trifluoromethyl)sulfonyl)benzene|CS-0497957
      944-30-9

    References

    • Beaumont, Andrew J.; Clark, James H. Journal of Fluorine Chemistry, 1991 , vol. 52, # 3 p. 295 - 300

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.1192
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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