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CS-W001157 4
Total: USD 88.00

4-((Trifluoromethyl)thio)phenol

  • CAS No. 461-84-7

  • Cat. No. CS-W015747
  • Purity≥98%
  • MDL No.MFCD00036035

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

4-((Trifluoromethyl)thio)phenol|CS-W015747

Structure of 461-84-7

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General Information

  • CAS No. 461-84-7
  • Cat. No. CS-W015747
  • Purity ≥98%
  • MDL No. MFCD00036035
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₃OS
  • Molecular Weight 194.17
  • Synonym(s) IFLAB-BB F2108-0151
  • SMILES OC1=CC=C(SC(F)(F)F)C=C1

Description

4-((Trifluoromethyl)thio)phenol features a trifluoromethylthio group appended to the para position of phenol, delivering enhanced electron-withdrawing character and improved metabolic stability. This configuration imparts strong lipophilicity and resistance to oxidative degradation, making it valuable for pharmaceutical intermediates and agrochemical synthesis. The compound exhibits favorable reactivity in nucleophilic substitution and transition-metal-catalyzed coupling processes under standard conditions.

Application

4-((Trifluoromethyl)thio)phenol serves as a valuable building block in medicinal chemistry and agrochemical synthesis, enabling the introduction of a strongly electron-withdrawing trifluoromethylthio group. Its stability under standard reaction conditions facilitates direct coupling reactions, including Suzuki-Miyaura and Ullmann-type transformations, and supports efficient functionalization in late-stage derivatization. The compound exhibits good bench stability and is compatible with common protecting group strategies.

Synthesis

  • Route1
    • null|null
      75-63-8
    • In-stock
      LasR antagonist-2|CS-0157400
      15015-57-3
    • ~85%
    • In-stock
      4-((Trifluoromethyl)thio)phenol|CS-W015747
      461-84-7

    References

    • Tang, Ri-Yuan; Zhong, Ping; Lin, Qiu-Lian Journal of Fluorine Chemistry, 2007 , vol. 128, # 6 p. 636 - 640
  • Route2
    • null|null
      421-17-0
    • null|null
      108-95-2
    • ~%
    • In-stock
      4-((Trifluoromethyl)thio)phenol|CS-W015747
      461-84-7

    References

    • Farbenfabriken Bayer A. G. Patent: BE624397 , 1963 ; C.A., 1963 , vol. 59, p. 9893
  • Route3
    • null|null
      2314-97-8
    • null|null
      637-89-8
    • ~%
    • In-stock
      4-((Trifluoromethyl)thio)phenol|CS-W015747
      461-84-7

    References

    • Boiko,V.N. et al. Journal of Organic Chemistry USSR (English Translation), 1977 , vol. 13, p. 972 - 975 Zhurnal Organicheskoi Khimii, 1977 , vol. 13, p. 1057 - 1061

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   3.0041
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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