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CS-W001157 4
Total: USD 88.00

2,6-Dichloro-1-fluoropyridin-1-ium trifluoromethanesulfonate

  • CAS No. 130433-68-0

  • Cat. No. CS-0460079
  • Purity≥95%
  • MDL No.MFCD00191438

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

2,6-Dichloro-1-fluoropyridin-1-ium trifluoromethanesulfonate|CS-0460079

Structure of 130433-68-0

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General Information

  • CAS No. 130433-68-0
  • Cat. No. CS-0460079
  • Purity ≥95%
  • MDL No. MFCD00191438
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃Cl₂F₄NO₃S
  • Molecular Weight 316.06
  • Synonym(s) 2,6-dichloro-1-fluoropyridinium
  • SMILES O=S([O-])(C(F)(F)F)=O.F[N+]1=C(Cl)C=CC=C1Cl

Description

2,6-Dichloro-1-fluoropyridin-1-ium trifluoromethanesulfonate serves as a highly reactive electrophilic fluorinating agent, featuring a pyridinium core flanked by electron-withdrawing chlorine and fluorine substituents. This configuration enhances its capacity to facilitate selective fluorination in synthetic transformations under mild conditions.

Application

2,6-Dichloro-1-fluoropyridin-1-ium trifluoromethanesulfonate serves as a highly effective electrophilic fluorinating agent and key building block in the synthesis of fluorinated heterocycles. Its reactivity enables selective C–F bond formation under mild conditions, with excellent functional group tolerance and bench stability. The triflate counterion facilitates smooth handling and purification, making it ideal for iterative synthetic sequences in medicinal chemistry and API development.

Synthesis

  • Route1
    • In-stock
      2,6-Dichloropyridine|CS-W020060
      2402-78-0
    • null|null
      1493-13-6
    • ~60%
    • In-stock
      2,6-Dichloro-1-fluoropyridin-1-ium trifluoromethanesulfonate|CS-0460079
      130433-68-0

    References

    • Umemoto, Teruo; Harasawa, Kikuko; Tomizawa, Ginjiro; Kawada, Kosuke; Tomita, Kyoichi Bulletin of the Chemical Society of Japan, 1991 , vol. 64, # 4 p. 1081 - 1092

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   61.08
  • LogP   2.0649
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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