CAS 113016-90-3

2-Methoxy-1,4-benzenedicarbonitrile

Description:

2-Methoxy-1,4-benzenedicarbonitrile, with the CAS number 113016-90-3, is an organic compound characterized by its aromatic structure featuring two cyano groups (-C≡N) and a methoxy group (-OCH₃) attached to a benzene ring. This compound typically appears as a solid at room temperature and is known for its potential applications in organic synthesis and materials science. The presence of the cyano groups contributes to its reactivity, making it a useful intermediate in the synthesis of various pharmaceuticals and agrochemicals. The methoxy group enhances its solubility in organic solvents, which can facilitate its use in various chemical reactions. Additionally, 2-Methoxy-1,4-benzenedicarbonitrile may exhibit interesting electronic properties due to the conjugation between the aromatic system and the cyano groups, potentially influencing its behavior in electronic applications. Safety data should be consulted for handling, as compounds with cyano groups can be toxic and require appropriate precautions during use.

Formula: C₉H₆N₂O

InChI: InChI=1S/C9H6N2O/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4H,1H3

InChI key: InChIKey=VHDLWGQRFLPNMI-UHFFFAOYSA-N

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

Synonyms:

• 2,5-Dicyano-1-methoxybenzene
• 1,4-Benzenedicarbonitrile, 2-methoxy-
• 2-Methoxy-1,4-benzenedicarbonitrile