CAS 1035265-71-4

1-(Isocyanatomethyl)-3,5-dimethylbenzene

Description:

1-(Isocyanatomethyl)-3,5-dimethylbenzene, also known as a substituted isocyanate, is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a benzene ring that is further substituted with two methyl groups at the 3 and 5 positions. This compound typically exhibits a colorless to pale yellow appearance and has a distinct, often pungent odor associated with isocyanates. It is known for its reactivity, particularly in forming urethane linkages when reacting with alcohols or amines, making it valuable in the production of polymers and coatings. The presence of the isocyanate group also contributes to its potential toxicity and irritant properties, necessitating careful handling and appropriate safety measures during use. Additionally, the compound's solubility characteristics may vary, often being soluble in organic solvents while having limited solubility in water. Its applications can extend to the synthesis of various chemical intermediates and materials in the field of organic chemistry and materials science.

Formula: C₁₀H₁₁NO

InChI: InChI=1S/C10H11NO/c1-8-3-9(2)5-10(4-8)6-11-7-12/h3-5H,6H2,1-2H3

InChI key: InChIKey=MRTVUYNOKBCLJK-UHFFFAOYSA-N

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

Synonyms:

• Benzene, 1-(isocyanatomethyl)-3,5-dimethyl-
• 1-(Isocyanatomethyl)-3,5-dimethylbenzene
• 3,5-Dimethylbenzyl isocyanate