CAS 1082040-41-2

5-Fluoro-2-methyl-3-nitrobenzonitrile

Description:

5-Fluoro-2-methyl-3-nitrobenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a fluorine atom, a methyl group, and a nitro group, along with a nitrile functional group. The presence of the fluorine atom typically enhances the compound's lipophilicity and can influence its reactivity and biological activity. The nitro group is known for its electron-withdrawing properties, which can affect the compound's electronic characteristics and stability. This compound is likely to be a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique combination of functional groups suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Safety data should be consulted for handling, as nitro compounds can be sensitive and potentially hazardous. Overall, 5-Fluoro-2-methyl-3-nitrobenzonitrile represents a versatile structure in the realm of synthetic organic chemistry.

Formula: C₈H₅FN₂O₂

InChI: InChI=1S/C8H5FN2O2/c1-5-6(4-10)2-7(9)3-8(5)11(12)13/h2-3H,1H3

InChI key: InChIKey=WUJFIWKTZAAXJN-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C)C(C#N)=CC(F)=C1

Synonyms:

• Benzonitrile, 5-fluoro-2-methyl-3-nitro-
• 5-Fluoro-2-methyl-3-nitrobenzonitrile