CAS 127510-93-4

Ethyl 5-bromo-2-cyanobenzoate

Description:

Ethyl 5-bromo-2-cyanobenzoate is an organic compound characterized by its aromatic structure, which includes a bromine atom and a cyano group attached to a benzoate moiety. This compound features an ethyl ester functional group, contributing to its solubility in organic solvents. The presence of the bromine atom enhances its reactivity, making it useful in various chemical synthesis applications, particularly in the field of medicinal chemistry and material science. The cyano group introduces a strong electron-withdrawing effect, which can influence the compound's reactivity and stability. Ethyl 5-bromo-2-cyanobenzoate is typically a solid at room temperature and may exhibit moderate to high melting and boiling points due to its molecular interactions. Its unique combination of functional groups allows for potential applications in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Safety data should be consulted for handling, as halogenated compounds can pose health risks.

Formula: C₁₀H₈BrNO₂

InChI: InChI=1S/C10H8BrNO2/c1-2-14-10(13)9-5-8(11)4-3-7(9)6-12/h3-5H,2H2,1H3

InChI key: InChIKey=NJZOBLBNTAIQNG-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 5-bromo-2-cyano-, ethyl ester
• Ethyl 5-bromo-2-cyanobenzoate