CAS 110234-70-3

4,4,4-Trifluoro-2-methyl-3-oxobutanenitrile

Description:

4,4,4-Trifluoro-2-methyl-3-oxobutanenitrile, with the CAS number 110234-70-3, is a chemical compound characterized by its unique structure that includes a trifluoromethyl group, a nitrile functional group, and a ketone. This compound is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. It exhibits a high degree of polarity due to the presence of the nitrile and ketone functionalities, which can influence its solubility in various solvents. The trifluoromethyl group imparts significant electronegativity, enhancing the compound's reactivity and making it useful in various synthetic applications, particularly in organic synthesis and pharmaceuticals. Additionally, the presence of multiple functional groups allows for diverse chemical transformations, making it a valuable intermediate in the production of more complex molecules. Safety data should be consulted for handling, as compounds with trifluoromethyl groups can exhibit toxicity and environmental concerns. Overall, 4,4,4-Trifluoro-2-methyl-3-oxobutanenitrile is notable for its chemical versatility and potential applications in advanced materials and drug development.

Formula: C₅H₄F₃NO

InChI: InChI=1S/C5H4F3NO/c1-3(2-9)4(10)5(6,7)8/h3H,1H3

InChI key: InChIKey=NFAUIXAQBBGDDW-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)(C(C#N)C)=O

Synonyms:

• 3-Oxo-4,4,4-trifluoro-2-methylbutanenitrile
• Butanenitrile, 4,4,4-trifluoro-2-methyl-3-oxo-
• 4,4,4-Trifluoro-2-methyl-3-oxobutanenitrile