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CS-W001157 4
Total: USD 88.00

((Trifluoromethyl)sulfonyl)benzene

  • CAS No. 426-58-4

  • Cat. No. CS-0114496
  • Purity≥98%
  • MDL No.MFCD00159083

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

((Trifluoromethyl)sulfonyl)benzene|CS-0114496

Structure of 426-58-4

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General Information

  • CAS No. 426-58-4
  • Cat. No. CS-0114496
  • Purity ≥98%
  • MDL No. MFCD00159083
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₃O₂S
  • Molecular Weight 210.17
  • Synonym(s) trifluoromethylsulfonylbenzene
  • SMILES O=S(C1=CC=CC=C1)(C(F)(F)F)=O

Description

This trifluoromethylsulfonylbenzene features a highly electron-deficient aromatic ring stabilized by the strong inductive withdrawal of the trifluoromethylsulfonyl group, enabling efficient electrophilic substitution and serving as a key building block in synthetic organic chemistry.

Application

((Trifluoromethyl)sulfonyl)benzene serves as a robust sulfonating agent and electrophilic trifluoromethylsulfonate source in synthetic organic chemistry. It facilitates efficient C–H and C–N functionalization reactions, particularly in transition-metal-catalyzed cross-couplings. Its stability under ambient conditions and compatibility with diverse functional groups make it a practical choice for constructing trifluoromethylsulfonate-bearing scaffolds in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • OXAGEN LIMITED Patent: WO2005/40112 A1, 2005 ; Location in patent: Page/Page column 60-61 ; WO 2005/040112 A1
  • Route2

    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
  • Route3

    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

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.9801
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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