CAS 192869-09-3

2-Iodo-3,4-dimethoxybenzonitrile

Description:

2-Iodo-3,4-dimethoxybenzonitrile is an organic compound characterized by its structure, which includes a benzene ring substituted with an iodine atom, two methoxy groups, and a nitrile functional group. The presence of the iodine atom enhances its reactivity, making it useful in various chemical synthesis applications, particularly in the field of medicinal chemistry. The methoxy groups contribute to the compound's electron-donating properties, which can influence its reactivity and solubility in organic solvents. The nitrile group, characterized by the presence of a carbon triple-bonded to a nitrogen atom, imparts additional polarity and can participate in nucleophilic reactions. This compound is typically used in research and development settings, particularly in the synthesis of more complex organic molecules. Its unique combination of functional groups allows for diverse applications, including potential use in pharmaceuticals and agrochemicals. As with many halogenated compounds, appropriate safety measures should be taken when handling 2-Iodo-3,4-dimethoxybenzonitrile due to its potential toxicity and environmental impact.

Formula: C₉H₈INO₂

InChI: InChI=1S/C9H8INO2/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4H,1-2H3

InChI key: InChIKey=JTVXKTKBFZQQPX-UHFFFAOYSA-N

SMILES: O(C)C1=C(OC)C=CC(C#N)=C1I

Synonyms:

• benzonitrile, 2-iodo-3,4-dimethoxy-
• Benzonitrile, 2-iodo-3,4-dimethoxy-
• 2-Iodo-3,4-dimethoxybenzonitrile