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2-Ethynyl-5-(trifluoromethyl)pyridine(CAS: 379670-42-5)

2-Ethynyl-5-(trifluoromethyl)pyridine
CAS Number

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Basic Information

Molecular Formula
C8H4F3N
Molecular Weight
171.12 g/mol

Chemical Identifiers

SMILES
C#CC1=NC=C(C=C1)C(F)(F)F
InChIKey
PISOZFXTSONWKH-UHFFFAOYSA-N

Database References

MDL Number
MFCD13189717

FAQ

2-Ethynyl-5-(trifluoromethyl)pyridine (CAS: 379670-42-5) is a crystalline solid with a molecular weight of approximately 218.07 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetone. It is moderately reactive, particularly with nucleophiles. It is prone to undergo substitution reactions and can form stable complexes with certain metal ions.
2-Ethynyl-5-(trifluoromethyl)pyridine can be synthesized via the acetylene coupling reaction of 3-chloro-5-(trifluoromethyl)pyridine with acetylene in the presence of a palladium catalyst. The reaction is carried out in an inert atmosphere to avoid decomposition. The yield is typically around 70-80%, and the reaction mixture is then purified by recrystallization.
2-Ethynyl-5-(trifluoromethyl)pyridine is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules and as a building block in medicinal chemistry. It is also used in the semiconductor industry for the production of precursors for gas-phase deposition processes. Additionally, it has applications in the development of sensors and as a ligand in coordination chemistry.
When handling 2-Ethynyl-5-(trifluoromethyl)pyridine (CAS: 379670-42-5), it is important to wear protective gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risks. Avoid contact with skin and eyes. In case of a spill, immediately clean up using appropriate absorbent materials and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed emergency procedures and handling instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

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