CAS 906352-73-6

2-(4-Isocyanatophenyl)-5-(trifluoromethyl)pyridine

Description:

2-(4-Isocyanatophenyl)-5-(trifluoromethyl)pyridine is a chemical compound characterized by its unique structure, which includes a pyridine ring substituted with both an isocyanate group and a trifluoromethyl group. The presence of the isocyanate functional group (-N=C=O) indicates that this compound can participate in various chemical reactions, particularly in the formation of urethanes and other derivatives through nucleophilic attack. The trifluoromethyl group (-CF3) is known for imparting significant lipophilicity and can influence the compound's reactivity and biological activity. This compound is typically used in organic synthesis and may have applications in materials science, pharmaceuticals, or agrochemicals due to its potential reactivity and the properties conferred by its functional groups. Additionally, the presence of fluorine atoms can enhance the stability and performance of the compound in various applications. As with many isocyanates, it is important to handle this substance with care due to its potential toxicity and reactivity.

Formula: C₁₃H₇F₃N₂O

InChI: InChI=1S/C13H7F3N2O/c14-13(15,16)10-3-6-12(17-7-10)9-1-4-11(5-2-9)18-8-19/h1-7H

InChI key: InChIKey=GFEVPIXAPFROGH-UHFFFAOYSA-N

SMILES: N(=C=O)C1=CC=C(C=C1)C2=CC=C(C(F)(F)F)C=N2

Synonyms:

• Pyridine, 2-(4-isocyanatophenyl)-5-(trifluoromethyl)-
• 2-(4-Isocyanatophenyl)-5-(trifluoromethyl)pyridine