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CAS 128886-91-9

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4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzonitrile

Description:
4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzonitrile, with the CAS number 128886-91-9, is a chemical compound characterized by its unique structure that includes a diazirine moiety and a benzonitrile group. The presence of the trifluoromethyl group enhances its reactivity and lipophilicity, making it useful in various chemical applications, particularly in the fields of medicinal chemistry and materials science. The diazirine functional group is notable for its ability to undergo photochemical reactions, allowing for the incorporation of the compound into larger molecular frameworks or for use in labeling studies. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its reactivity profile, particularly under UV light, makes it a valuable tool in bioconjugation and the study of biomolecular interactions. Safety precautions should be taken when handling this compound, as the trifluoromethyl group can impart toxicity and environmental concerns. Overall, its distinctive features make it a compound of interest in various research applications.
Formula:C9H4F3N3
InChI:InChI=1S/C9H4F3N3/c10-9(11,12)8(14-15-8)7-3-1-6(5-13)2-4-7/h1-4H
InChI key:InChIKey=MAWONWOMXRJQJP-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1(N=N1)C2=CC=C(C#N)C=C2
Synonyms:
  • Benzonitrile, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
  • 3H-Diazirine, benzonitrile deriv.
  • 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzonitrile
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