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CAS 55805-06-6

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3-(1,1-Difluoroethyl)benzonitrile

Description:
3-(1,1-Difluoroethyl)benzonitrile is an organic compound characterized by the presence of a benzonitrile moiety, which features a cyano group (-C≡N) attached to a benzene ring. The compound also contains a 1,1-difluoroethyl group, indicating that two fluorine atoms are substituted on the same carbon atom of an ethyl group. This substitution can influence the compound's physical and chemical properties, such as its polarity, boiling point, and reactivity. The presence of the cyano group contributes to the compound's potential as a building block in organic synthesis and materials science. Additionally, the fluorinated ethyl group may enhance the compound's stability and lipophilicity, making it of interest in various applications, including pharmaceuticals and agrochemicals. As with many organic compounds, safety and handling precautions should be observed, as the toxicity and environmental impact of the substance may vary. Overall, 3-(1,1-Difluoroethyl)benzonitrile exemplifies the complexity and utility of fluorinated organic compounds in modern chemistry.
Formula:C9H7F2N
InChI:InChI=1S/C9H7F2N/c1-9(10,11)8-4-2-3-7(5-8)6-12/h2-5H,1H3
InChI key:InChIKey=FVVHWXDEFWFFSD-UHFFFAOYSA-N
SMILES:C(C)(F)(F)C1=CC(C#N)=CC=C1
Synonyms:
  • 3-(1,1-Difluoroethyl)benzonitrile
  • Benzonitrile, 3-(1,1-difluoroethyl)-
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