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CS-W001157 4
Total: USD 88.00

5-(Trifluoromethyl)-5H-thianthren-5-ium tetrafluoroborate

  • CAS No. 2648079-80-3

  • Cat. No. CS-0568730
  • Molecule weight372.13
  • Purity≥98%
  • MDL No.None

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

5-(Trifluoromethyl)-5H-thianthren-5-ium tetrafluoroborate|CS-0568730

Structure of 2648079-80-3

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General Information

  • CAS No. 2648079-80-3
  • Cat. No. CS-0568730
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈BF₇S₂
  • Molecular Weight 372.13
  • Synonym(s) None
  • SMILES FC([S+]1C2=CC=CC=C2SC3=C1C=CC=C3)(F)F.F[B-](F)(F)F

Description

This trifluoromethyl-substituted thianthrene salt delivers a potent, bench-stable electrophilic source for C–H functionalization. The electron-deficient thianthrenium core enables efficient coupling reactions under mild conditions, while the tetrafluoroborate counterion enhances solubility and stability in common organic solvents.

Application

5-(Trifluoromethyl)-5H-thianthren-5-ium tetrafluoroborate serves as a stable, bench-ready electrophilic trifluoromethylating agent. It enables direct C–CF₃ bond formation under mild conditions, demonstrating excellent functional group tolerance and compatibility with common reaction media. Its robustness facilitates straightforward handling and purification, making it ideal for late-stage functionalization in synthetic and medicinal chemistry workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   6.0073
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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