CAS 115651-32-6

5-Acetyl-2-bromo-4-hydroxybenzonitrile

Description:

5-Acetyl-2-bromo-4-hydroxybenzonitrile, identified by its CAS number 115651-32-6, is an organic compound that features a benzene ring substituted with an acetyl group, a bromine atom, a hydroxyl group, and a nitrile group. This compound is characterized by its aromatic nature, which contributes to its stability and reactivity. The presence of the hydroxyl group (–OH) indicates potential for hydrogen bonding, which can influence its solubility and interaction with other molecules. The nitrile group (–C≡N) adds to its polarity and can participate in various chemical reactions, including nucleophilic additions. The bromine atom introduces a halogen, which can enhance the compound's reactivity in substitution reactions. Overall, 5-Acetyl-2-bromo-4-hydroxybenzonitrile is of interest in synthetic organic chemistry and may have applications in pharmaceuticals or agrochemicals due to its functional groups that can be modified for further chemical transformations.

Formula: C₉H₆BrNO₂

InChI: InChI=1S/C9H6BrNO2/c1-5(12)7-2-6(4-11)8(10)3-9(7)13/h2-3,13H,1H3

InChI key: InChIKey=BFOQNYWRWSMYHS-UHFFFAOYSA-N

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

Synonyms:

• 5-Acetyl-2-bromo-4-hydroxybenzonitrile
• Benzonitrile, 5-acetyl-2-bromo-4-hydroxy-