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CS-W001157 4
Total: USD 88.00

Trifluoromethylthiobenzene

  • CAS No. 456-56-4

  • Cat. No. CS-0130332
  • Purity≥98%
  • MDL No.MFCD00040839

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

Trifluoromethylthiobenzene|CS-0130332

Structure of 456-56-4

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General Information

  • CAS No. 456-56-4
  • Cat. No. CS-0130332
  • Purity ≥98%
  • MDL No. MFCD00040839
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₃S
  • Molecular Weight 178.17
  • Synonym(s) α,α,α-Trifluorothioanisole
  • SMILES FC(F)(SC1=CC=CC=C1)F

Description

Trifluoromethylthiobenzene features a trifluoromethylthio group directly attached to a benzene ring, delivering enhanced electron-withdrawing character and improved metabolic stability. This moiety integrates readily into pharmaceutical scaffolds and functional materials, offering robust performance under standard reaction conditions.

Application

Trifluoromethylthiobenzene serves as a valuable building block in synthetic organic chemistry, enabling direct introduction of the trifluoromethylthio (SCF₃) group—known for enhancing metabolic stability and lipophilicity in bioactive molecules. The compound exhibits good bench stability and functions as a versatile reagent in transition-metal-catalyzed coupling reactions, particularly in C–S bond formation and cross-coupling protocols. Its compatibility with diverse functional groups supports efficient synthesis of fluorinated aromatic scaffolds relevant to medicinal chemistry and agrochemical development.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H302-H315-H319-H335
Precautionary Statements : P210-P261-P301+P330+P331-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.2985
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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