CAS 927891-80-3

2-Chloro-6-methoxybenzenepropanenitrile

Description:

2-Chloro-6-methoxybenzenepropanenitrile, with the CAS number 927891-80-3, is an organic compound characterized by its aromatic structure and the presence of both a chloro and a methoxy substituent on the benzene ring. This compound features a propanenitrile group, which introduces a cyano functional group (-C≡N) that contributes to its reactivity and potential applications in organic synthesis. The chloro group enhances the electrophilicity of the aromatic ring, making it a suitable candidate for further chemical modifications. The methoxy group, being an electron-donating substituent, can influence the compound's reactivity and solubility in various solvents. Typically, compounds like this may be utilized in pharmaceutical research, agrochemical development, or as intermediates in the synthesis of more complex organic molecules. Its physical properties, such as boiling point, melting point, and solubility, would depend on the specific molecular interactions and the presence of functional groups. Safety data and handling precautions should be consulted due to the potential hazards associated with halogenated compounds and nitriles.

Formula: C₁₀H₁₀ClNO

InChI: InChI=1S/C10H10ClNO/c1-13-10-6-2-5-9(11)8(10)4-3-7-12/h2,5-6H,3-4H2,1H3

InChI key: InChIKey=KMNGXXDZAWTFID-UHFFFAOYSA-N

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

Synonyms:

• 3-(2-Chloro-6-methoxyphenyl)propionitrile
• Benzenepropanenitrile, 2-chloro-6-methoxy-
• 2-Chloro-6-methoxybenzenepropanenitrile