CAS 122129-85-5

(1-Isocyanato-2-methylpropyl)benzene

Description:

(1-Isocyanato-2-methylpropyl)benzene, also known as isocyanato-2-methylpropylbenzene, is an organic compound characterized by the presence of both isocyanate and aromatic benzene functionalities. It features a benzene ring substituted with a 2-methylpropyl group and an isocyanate functional group (-N=C=O). This compound is typically a colorless to pale yellow liquid with a distinctive odor, indicative of isocyanate compounds. It is known for its reactivity, particularly in forming urethane linkages when it reacts 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, it is important to note that isocyanates can undergo hydrolysis in the presence of moisture, leading to the formation of corresponding amines and carbon dioxide. Overall, (1-Isocyanato-2-methylpropyl)benzene is significant in industrial applications, particularly in the synthesis of various polyurethane materials.

Formula: C₁₁H₁₃NO

InChI: InChI=1S/C11H13NO/c1-9(2)11(12-8-13)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3

InChI key: InChIKey=FIRNMIDZIRGJSF-UHFFFAOYSA-N

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

Synonyms:

• Benzene, (1-isocyanato-2-methylpropyl)-
• 2-Methyl-1-phenylpropyl isocyanate
• Benzene, (1-isocyanato-2-methylpropyl)-, (±)-
• (1-Isocyanato-2-methylpropyl)benzene