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3-(Trifluoromethoxy)benzenesulfonyl chloride

  • CAS No. 220227-84-9

  • Cat. No. CS-0081170
  • Purity≥98%
  • MDL No.MFCD01091016

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

3-(Trifluoromethoxy)benzenesulfonyl chloride|CS-0081170

Structure of 220227-84-9

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General Information

  • CAS No. 220227-84-9
  • Cat. No. CS-0081170
  • Purity ≥98%
  • MDL No. MFCD01091016
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClF₃O₃S
  • Molecular Weight 260.62
  • Synonym(s) 3-(Chlorosulphonyl)-alpha, alpha,alpha-trifluoroanisole
  • SMILES O=S(C1=CC=CC(OC(F)(F)F)=C1)(Cl)=O

Description

3-(Trifluoromethoxy)benzenesulfonyl chloride features a strongly electron-withdrawing trifluoromethoxy group that enhances reactivity in sulfonylation processes. This bench-stable reagent facilitates efficient introduction of sulfonyl moieties into complex molecular architectures under mild conditions.

Application

3-(Trifluoromethoxy)benzenesulfonyl chloride serves as a versatile sulfonylating agent for the efficient introduction of the trifluoromethoxy-substituted benzenesulfonyl group. It enables selective sulfonation of nucleophiles under mild conditions, offering excellent functional group tolerance and bench stability. The compound facilitates the synthesis of sulfonamide-based building blocks relevant to medicinal chemistry and agrochemical research, with straightforward purification via crystallization or distillation.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , 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-P303+P361+P353-P304+P340-P305+P351+P338-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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