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CAS 116617-31-3

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2-[CYANO(4-FLUOROPHENYL)METHYL]BENZENECARBONITRILE

Description:
2-[Cyano(4-fluorophenyl)methyl]benzenecarbonitrile, with the CAS number 116617-31-3, is a chemical compound characterized by its complex structure that includes a cyano group and a fluorophenyl moiety. This compound typically exhibits properties associated with nitriles, such as high polarity and potential solubility in polar organic solvents. The presence of the fluorine atom can influence its reactivity and stability, often enhancing lipophilicity and altering electronic properties. As a nitrile, it may participate in various chemical reactions, including nucleophilic additions and cycloadditions. The compound's structure suggests potential applications in pharmaceuticals or agrochemicals, where the cyano and fluorine functionalities can impart desirable biological activities. Additionally, its molecular configuration may allow for specific interactions with biological targets, making it of interest in medicinal chemistry. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity and environmental impact.
Formula:C15H9FN2
InChI:InChI=1/C15H9FN2/c16-13-7-5-11(6-8-13)15(10-18)14-4-2-1-3-12(14)9-17/h1-8,15H/t15-/m1/s1
SMILES:c1ccc(c(c1)C#N)[C@H](C#N)c1ccc(cc1)F
Synonyms:
  • 2-[Cyano(4-Fluorophenyl)Methyl]Benzonitrile
  • 2-(2-Cyanophenyl)-2-(4-Fluorophenyl)Acetonitrile
  • 2-[(S)-cyano(4-fluorophenyl)methyl]benzonitrile
  • 2-[(R)-cyano(4-fluorophenyl)methyl]benzonitrile
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