CAS 1261606-35-2

2-Isocyanato-5-methoxybenzonitrile

Description:

2-Isocyanato-5-methoxybenzonitrile is an organic compound characterized by the presence of both isocyanate and nitrile functional groups, which contribute to its reactivity and potential applications in various chemical processes. The structure features a methoxy group attached to a benzene ring, which enhances its solubility in organic solvents and may influence its reactivity. This compound is typically used in the synthesis of polymers, particularly in the production of polyurethane materials, due to the isocyanate group’s ability to react with alcohols and amines. Additionally, the nitrile group can participate in further chemical transformations, making it a versatile intermediate in organic synthesis. Safety considerations are important when handling this compound, as isocyanates are known to be irritants and can pose health risks upon exposure. Proper storage and handling protocols should be followed to mitigate any hazards associated with its use. Overall, 2-Isocyanato-5-methoxybenzonitrile is a valuable compound in the field of materials science and organic chemistry.

Formula: C₉H₆N₂O₂

InChI: InChI=1S/C9H6N2O2/c1-13-8-2-3-9(11-6-12)7(4-8)5-10/h2-4H,1H3

InChI key: InChIKey=LMESITBFEPQVCC-UHFFFAOYSA-N

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

Synonyms:

• 2-Isocyanato-5-methoxybenzonitrile
• Benzonitrile, 2-isocyanato-5-methoxy-