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CS-W001157 4
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Trifluoromethyl 4-fluorobenzenesulfonate

  • CAS No. 2070902-77-9

  • Cat. No. CS-0131818
  • Purity≥97%
  • MDL No.MFCD33023613

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

Trifluoromethyl 4-fluorobenzenesulfonate|CS-0131818

Structure of 2070902-77-9

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General Information

  • CAS No. 2070902-77-9
  • Cat. No. CS-0131818
  • Purity ≥97%
  • MDL No. MFCD33023613
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₄O₃S
  • Molecular Weight 244.16
  • Synonym(s) Benzenesulfonic acid, 4-fluoro-, trifluoromethyl ester
  • SMILES O=S(C1=CC=C(F)C=C1)(OC(F)(F)F)=O

Description

Trifluoromethyl 4-fluorobenzenesulfonate serves as a highly reactive sulfonate ester for C–H functionalization and cross-coupling reactions. The trifluoromethyl group imparts strong electron-withdrawing character, while the para-fluoro substituent enhances stability and modulates reactivity. This combination enables efficient transition-metal-catalyzed transformations under mild conditions.

Application

Trifluoromethyl 4-fluorobenzenesulfonate serves as a highly effective sulfonate ester for C–H functionalization and cross-coupling reactions, enabling efficient installation of trifluoromethyl groups under mild conditions. Its bench-stable nature and excellent functional group tolerance facilitate reliable use in complex molecule synthesis, particularly in late-stage fluorination and heterocycle construction.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06,GHS08
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅱ
Hazard Statements : H227-H301-H311-H314-H332
Precautionary Statements : P210-P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P304+P340-P330-P361+P364-P363-P370+P378-P403-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.0508
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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