CAS 314267-83-9
:4-(5-Isoxazolyl)benzonitrile
Description:
4-(5-Isoxazolyl)benzonitrile is an organic compound characterized by its unique structural features, which include a benzonitrile moiety and an isoxazole ring. The presence of the isoxazole ring, a five-membered heterocyclic compound containing both nitrogen and oxygen, contributes to its potential biological activity and chemical reactivity. This compound typically appears as a solid at room temperature and is soluble in organic solvents. Its molecular structure allows for various interactions, making it of interest in medicinal chemistry and material science. The nitrile functional group (-C≡N) is known for its ability to participate in nucleophilic reactions, while the isoxazole ring can engage in hydrogen bonding and other interactions. The compound may exhibit properties such as fluorescence or specific reactivity patterns, depending on the substituents and the overall electronic environment. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks or environmental hazards.
Formula:C10H6N2O
InChI:InChI=1S/C10H6N2O/c11-7-8-1-3-9(4-2-8)10-5-6-12-13-10/h1-6H
InChI key:InChIKey=SRPVCXLVJQBLLQ-UHFFFAOYSA-N
SMILES:C(#N)C1=CC=C(C=C1)C2=CC=NO2
Synonyms:- Benzonitrile, 4-(5-isoxazolyl)-
- 4-(5-Isoxazolyl)benzonitrile
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