CAS 1227511-79-6

2-Fluoro-4-(trifluoromethyl)-3-pyridineacetonitrile

Description:

2-Fluoro-4-(trifluoromethyl)-3-pyridineacetonitrile is a chemical compound characterized by its pyridine ring, which is a six-membered aromatic heterocycle containing one nitrogen atom. The presence of a fluoro group at the 2-position and a trifluoromethyl group at the 4-position significantly influences its chemical properties, including its reactivity and polarity. The acetonitrile functional group contributes to its ability to act as a solvent and a building block in organic synthesis. This compound is typically colorless to pale yellow and may exhibit moderate volatility. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, and materials science, particularly due to the electron-withdrawing effects of the fluorine substituents, which can enhance the compound's reactivity in nucleophilic substitution reactions. Additionally, the presence of the nitrile group may impart unique properties such as increased solubility in polar solvents and the ability to participate in various chemical transformations. Safety data should be consulted for handling and storage, as fluorinated compounds can pose specific health and environmental risks.

Formula: C₈H₄F₄N₂

InChI: InChI=1S/C8H4F4N2/c9-7-5(1-3-13)6(2-4-14-7)8(10,11)12/h2,4H,1H2

InChI key: InChIKey=KZXKVIUZTLHFQJ-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C(CC#N)=C(F)N=CC1

Synonyms:

• 2-Fluoro-4-(trifluoromethyl)-3-pyridineacetonitrile
• 3-Pyridineacetonitrile, 2-fluoro-4-(trifluoromethyl)-