CAS 1353776-83-6

2-Bromo-5-ethoxybenzonitrile

Description:

2-Bromo-5-ethoxybenzonitrile is an organic compound characterized by its aromatic structure, featuring a bromine atom and an ethoxy group attached to a benzene ring, along with a nitrile functional group. The presence of the bromine atom introduces notable reactivity, making it a potential candidate for various substitution reactions. The ethoxy group contributes to the compound's solubility in organic solvents and can influence its electronic properties, potentially enhancing nucleophilicity in reactions. The nitrile group, characterized by a carbon triple-bonded to a nitrogen atom, imparts polarity and can participate in further chemical transformations, such as hydrolysis or reduction. This compound is typically used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals. Its unique combination of functional groups allows for diverse applications, including serving as an intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling, as halogenated compounds can pose health risks.

Formula: C₉H₈BrNO

InChI: InChI=1S/C9H8BrNO/c1-2-12-8-3-4-9(10)7(5-8)6-11/h3-5H,2H2,1H3

InChI key: InChIKey=TYWGEKZEQZOIIG-UHFFFAOYSA-N

SMILES: C(#N)C1=CC(OCC)=CC=C1Br

Synonyms:

• 2-Bromo-5-ethoxybenzonitrile
• Benzonitrile, 2-bromo-5-ethoxy-