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CAS 267875-57-0

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3-Methyl-1,2-benzisoxazole-5-carbonitrile

Description:
3-Methyl-1,2-benzisoxazole-5-carbonitrile is a heterocyclic organic compound characterized by its unique bicyclic structure, which includes a benzene ring fused to an isoxazole ring. The presence of a cyano group (-C≡N) at the 5-position and a methyl group (-CH3) at the 3-position contributes to its chemical reactivity and potential applications. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential biological activity, making it of interest in pharmaceutical research. The compound may also participate in various chemical reactions, such as nucleophilic substitutions or cycloadditions, due to the electron-withdrawing nature of the cyano group. Additionally, its stability and reactivity can be influenced by the presence of functional groups and the overall electronic environment of the molecule. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks or environmental hazards.
Formula:C9H6N2O
InChI:InChI=1S/C9H6N2O/c1-6-8-4-7(5-10)2-3-9(8)12-11-6/h2-4H,1H3
InChI key:InChIKey=NWXDGVHBELPLLR-UHFFFAOYSA-N
SMILES:CC=1C=2C(=CC=C(C#N)C2)ON1
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