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CS-W001157 4
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2-Iodophenyl trifluoromethanesulfonate

  • CAS No. 129112-26-1

  • Cat. No. CS-0081876
  • Molecule weight352.07
  • Purity≥97%
  • MDL No.MFCD07784326

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

2-Iodophenyl trifluoromethanesulfonate|CS-0081876

Structure of 129112-26-1

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General Information

  • CAS No. 129112-26-1
  • Cat. No. CS-0081876
  • Purity ≥97%
  • MDL No. MFCD07784326
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃IO₃S
  • Molecular Weight 352.07
  • Synonym(s) Trifluoromethanesulfonic Acid 2-Iodophenyl Ester
  • SMILES O=S(C(F)(F)F)(OC1=CC=CC=C1I)=O

Description

2-Iodophenyl trifluoromethanesulfonate delivers a reactive iodine handle adjacent to a strongly electron-withdrawing triflate group, enabling efficient C–I bond formation under mild conditions. This bench-stable reagent facilitates arylation reactions in cross-coupling and functionalization workflows.

Application

2-Iodophenyl trifluoromethanesulfonate serves as a reliable arylating agent in transition-metal-catalyzed cross-coupling reactions, enabling efficient C–C and C–heteroatom bond formation. Its triflate leaving group facilitates oxidative addition with palladium catalysts, while the ortho-iodine substituent allows for further functionalization or acts as a traceable handle in synthetic sequences. The compound exhibits good bench stability and compatibility with diverse functional groups, making it a practical choice for constructing complex aromatic architectures in medicinal chemistry and materials science workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.5196
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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