CAS 81245-45-6

3-(Methoxymethoxy)benzonitrile

Description:

3-(Methoxymethoxy)benzonitrile, with the CAS number 81245-45-6, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a nitrile group and two methoxy groups. The presence of the nitrile (-C≡N) functional group imparts notable properties, such as increased polarity and potential reactivity in nucleophilic addition reactions. The methoxy groups (-OCH₃) enhance the compound's solubility in organic solvents and can influence its electronic properties, making it a candidate for various applications in organic synthesis and pharmaceuticals. This compound is typically a colorless to pale yellow liquid or solid, depending on its specific form and purity. Its molecular structure suggests potential uses in the development of agrochemicals, dyes, or as intermediates in the synthesis of more complex organic molecules. Safety data should be consulted for handling, as with many organic compounds, it may pose health risks if ingested or inhaled.

Formula: C₉H₉NO₂

InChI: InChI=1S/C9H9NO2/c1-11-7-12-9-4-2-3-8(5-9)6-10/h2-5H,7H2,1H3

InChI key: InChIKey=AFUWCHQJDGWZCJ-UHFFFAOYSA-N

SMILES: O(COC)C1=CC(C#N)=CC=C1

Synonyms:

• Benzonitrile, 3-(methoxymethoxy)-
• 3-(Methoxymethoxy)benzonitrile