CAS 1354650-54-6

2-Fluoro-5-(isocyanomethyl)benzonitrile

Description:

2-Fluoro-5-(isocyanomethyl)benzonitrile is an organic compound characterized by its unique functional groups and structural features. It contains a fluorine atom attached to a benzene ring, which enhances its reactivity and polarity. The presence of the isocyanomethyl group introduces a highly reactive isocyanate functional group, making the compound useful in various synthetic applications, particularly in the development of pharmaceuticals and agrochemicals. The benzonitrile moiety contributes to its potential as a building block in organic synthesis. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its chemical properties, such as reactivity and stability, can be influenced by the electron-withdrawing nature of the fluorine atom and the isocyanate group. Safety data should be consulted, as compounds containing isocyanate groups can be hazardous. Overall, 2-Fluoro-5-(isocyanomethyl)benzonitrile is a versatile compound with significant implications in chemical research and industrial applications.

Formula: C₉H₅FN₂

InChI: InChI=1S/C9H5FN2/c1-12-6-7-2-3-9(10)8(4-7)5-11/h2-4H,6H2

InChI key: InChIKey=FAHXXOQVGUEXHM-UHFFFAOYSA-N

SMILES: C(#N)C1=CC(C[N+]#[C-])=CC=C1F

Synonyms:

• Benzonitrile, 2-fluoro-5-(isocyanomethyl)-
• 2-Fluoro-5-(isocyanomethyl)benzonitrile