CAS 128828-87-5

2-Bromo-3-methoxybenzeneacetonitrile

Description:

2-Bromo-3-methoxybenzeneacetonitrile, also known by its CAS number 128828-87-5, is an organic compound characterized by the presence of a bromine atom, a methoxy group, and a nitrile functional group attached to a benzene ring. This compound typically exhibits a molecular structure that includes a bromobenzene moiety, which contributes to its reactivity and potential applications in organic synthesis. The methoxy group (-OCH3) enhances its solubility in organic solvents and may influence its electronic properties, making it a useful intermediate in the synthesis of various pharmaceuticals and agrochemicals. The acetonitrile group (-C≡N) provides a polar character, which can affect its interactions in chemical reactions. Additionally, the presence of the bromine atom allows for further substitution reactions, making it a versatile compound in synthetic organic chemistry. Overall, 2-Bromo-3-methoxybenzeneacetonitrile is valued for its unique structural features and potential utility in various chemical applications.

Formula: C₉H₈BrNO

InChI: InChI=1S/C9H8BrNO/c1-12-8-4-2-3-7(5-6-11)9(8)10/h2-4H,5H2,1H3

InChI key: InChIKey=VFPUUTVNFLDGGA-UHFFFAOYSA-N

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

Synonyms:

• (2-Bromo-3-methoxyphenyl)acetonitrile
• 2-(2-Bromo-3-methoxyphenyl)acetonitrile
• Benzeneacetonitrile, 2-bromo-3-methoxy-
• 2-Bromo-3-methoxybenzeneacetonitrile