CAS 104113-75-9

3-Chloro-4,5-dimethoxybenzeneacetonitrile

Description:

3-Chloro-4,5-dimethoxybenzeneacetonitrile, with the CAS number 104113-75-9, is an organic compound characterized by its aromatic structure, which includes a chloro substituent and two methoxy groups on the benzene ring. This compound features a nitrile functional group (-C≡N) attached to an acetic acid derivative, contributing to its reactivity and potential applications in organic synthesis. The presence of the chloro group enhances its electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions. The methoxy groups can influence the compound's solubility and reactivity, often making it more lipophilic. This compound is typically used in research and development, particularly in the synthesis of pharmaceuticals and agrochemicals. Its physical properties, such as melting point, boiling point, and solubility, can vary based on environmental conditions and the presence of other solvents. Safety data should be consulted for handling, as with many organic compounds, it may pose health risks if not managed properly.

Formula: C₁₀H₁₀ClNO₂

InChI: InChI=1S/C10H10ClNO2/c1-13-9-6-7(3-4-12)5-8(11)10(9)14-2/h5-6H,3H2,1-2H3

InChI key: InChIKey=ZRTCGLMIFBEIHA-UHFFFAOYSA-N

SMILES: O(C)C1=C(OC)C=C(CC#N)C=C1Cl

Synonyms:

• Benzeneacetonitrile, 3-chloro-4,5-dimethoxy-
• (3-Chloro-4,5-dimethoxy-phenyl)-acetonitrile
• 2-(3-Chloro-4,5-dimethoxyphenyl)acetonitrile
• 3-Chloro-4,5-dimethoxybenzeneacetonitrile