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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethoxy)benzenesulfonyl chloride

  • CAS No. 94108-56-2

  • Cat. No. CS-0070246
  • Purity≥97%
  • MDL No.None

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

4-(Trifluoromethoxy)benzenesulfonyl chloride|CS-0070246

Structure of 94108-56-2

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General Information

  • CAS No. 94108-56-2
  • Cat. No. CS-0070246
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClF₃O₃S
  • Molecular Weight 260.62
  • Synonym(s) {[4-(trifluoroMethoxy)benzene]sulfonyl}chloranuide
  • SMILES O=S(C(C=C1)=CC=C1OC(F)(F)F)(Cl)=O

Description

4-(Trifluoromethoxy)benzenesulfonyl chloride features a strongly electron-withdrawing trifluoromethoxy group flanking a reactive sulfonyl chloride moiety. This combination enhances electrophilicity and reactivity in nucleophilic substitution, enabling efficient incorporation into sulfonamide derivatives. The molecule exhibits bench-stable handling characteristics under anhydrous conditions, facilitating use in synthetic workflows requiring precise functionalization.

Application

4-(Trifluoromethoxy)benzenesulfonyl chloride serves as a robust sulfonylating agent for the efficient installation of trifluoromethoxy-substituted sulfonamide groups. Its stability under standard bench conditions and compatibility with diverse nucleophiles enable reliable synthesis of sulfonamide derivatives in medicinal chemistry workflows. Functions effectively in amine functionalization, enabling rapid access to bioactive scaffolds with enhanced metabolic stability and membrane permeability.

Synthesis

  • Route1

    References

    • Debergh, J. Robb; Niljianskul, Nootaree; Buchwald, Stephen L. Journal of the American Chemical Society, 2013 , vol. 135, # 29 p. 10638 - 10641

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.5127
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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