CAS 81038-45-1

2-Bromo-5-hydroxy-4-methoxybenzeneacetonitrile

Description:

2-Bromo-5-hydroxy-4-methoxybenzeneacetonitrile, with the CAS number 81038-45-1, is an organic compound that features a benzene ring substituted with a bromine atom, a hydroxyl group, and a methoxy group, along with an acetonitrile functional group. This compound is characterized by its aromatic structure, which contributes to its chemical stability and reactivity. The presence of the bromine atom introduces electrophilic characteristics, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The hydroxyl group (–OH) enhances its polarity and solubility in polar solvents, while the methoxy group (–OCH3) can influence its electronic properties and steric hindrance. Additionally, the acetonitrile moiety provides a nitrile functional group, which is known for its ability to participate in various organic reactions, including nucleophilic addition and condensation reactions. Overall, this compound's unique combination of functional groups makes it of interest in synthetic organic chemistry and potential applications in pharmaceuticals or agrochemicals.

Formula: C₉H₈BrNO₂

InChI: InChI=1S/C9H8BrNO2/c1-13-9-5-7(10)6(2-3-11)4-8(9)12/h4-5,12H,2H2,1H3

InChI key: InChIKey=UPHQIVSVNWADRR-UHFFFAOYSA-N

SMILES: C(C#N)C1=C(Br)C=C(OC)C(O)=C1

Synonyms:

• 2-Bromo-5-hydroxy-4-methoxybenzeneacetonitrile
• 2-Bromo-5-hydroxy-4-methoxyphenyl-acetonitrile
• 2-(2-Bromo-5-hydroxy-4-methoxyphenyl)acetonitrile
• Benzeneacetonitrile, 2-bromo-5-hydroxy-4-methoxy-