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CS-W001157 4
Total: USD 88.00

5-Ethynyl-2-(trifluoromethyl)pyridine

  • CAS No. 1196155-24-4

  • Cat. No. CS-0100906
  • Purity≥95%
  • MDL No.MFCD13189725

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

5-Ethynyl-2-(trifluoromethyl)pyridine|CS-0100906

Structure of 1196155-24-4

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General Information

  • CAS No. 1196155-24-4
  • Cat. No. CS-0100906
  • Purity ≥95%
  • MDL No. MFCD13189725
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃N
  • Molecular Weight 171.12
  • Synonym(s) [6-(Trifluoromethyl)pyridin-3-yl]acetylene
  • SMILES FC(C1=NC=C(C#C)C=C1)(F)F

Description

5-Ethynyl-2-(trifluoromethyl)pyridine features a trifluoromethyl group that enhances electron deficiency and metabolic stability, while the terminal alkyne enables efficient copper-catalyzed coupling reactions. This combination supports rapid assembly of complex heterocycles in medicinal chemistry and materials science applications.

Application

5-Ethynyl-2-(trifluoromethyl)pyridine serves as a versatile building block for copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions, enabling efficient access to triazole-linked scaffolds. The ethynyl group exhibits high reactivity under standard conditions, while the trifluoromethyl and pyridine functionalities provide enhanced metabolic stability and tunable polarity. This compound offers excellent bench stability, simplifies purification, and functions effectively in both small-molecule library synthesis and macrocyclic scaffold construction.

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 : H302-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.89
  • LogP   2.0817
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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