CAS 730964-57-5

2-(Isocyanomethyl)-1,4-dimethylbenzene

Description:

2-(Isocyanomethyl)-1,4-dimethylbenzene, also known by its CAS number 730964-57-5, is an organic compound characterized by the presence of both isocyanomethyl and dimethyl groups attached to a benzene ring. This compound features a benzene core substituted at the 1 and 4 positions with methyl groups, which contributes to its hydrophobic nature and influences its reactivity. The isocyanomethyl group introduces a highly reactive isocyanate functional group, making the compound useful in various chemical reactions, particularly in the synthesis of polymers and other organic materials. The presence of the isocyanate functionality allows for potential applications in the production of coatings, adhesives, and foams. Additionally, the compound's structure suggests it may exhibit interesting physical properties, such as solubility in organic solvents and potential volatility. Safety considerations are important when handling this compound due to the reactivity of isocyanates, which can pose health risks upon exposure. Overall, 2-(Isocyanomethyl)-1,4-dimethylbenzene is a versatile compound with significant implications in organic synthesis and materials science.

Formula: C₁₀H₁₁N

InChI: InChI=1S/C10H11N/c1-8-4-5-9(2)10(6-8)7-11-3/h4-6H,7H2,1-2H3

InChI key: InChIKey=UUBVUJPUKXSUCA-UHFFFAOYSA-N

SMILES: C([N+]#[C-])C1=C(C)C=CC(C)=C1

Synonyms:

• 2-(Isocyanomethyl)-1,4-dimethylbenzene
• Benzene, 2-(isocyanomethyl)-1,4-dimethyl-
• 2,5-DIMETHYLBENZYLISOCYANIDE