CAS 1195-99-9

(1-Isocyano-1-methylethyl)benzene

Description:

(1-Isocyano-1-methylethyl)benzene, also known as isocyanobenzene or isocyanomethylbenzene, is an organic compound characterized by the presence of an isocyanate functional group attached to a benzene ring. Its molecular structure features a phenyl group bonded to an isocyanomethyl substituent, which contributes to its reactivity and potential applications in organic synthesis. This compound is typically a colorless to pale yellow liquid with a distinctive odor. It is known for its ability to participate in various chemical reactions, including nucleophilic additions and polymerization processes, making it valuable in the production of isocyanate-based materials. The compound is moderately soluble in organic solvents but has limited solubility in water. Safety precautions are essential when handling this substance, as isocyanates can be toxic and irritative to the skin, eyes, and respiratory system. Proper storage in a cool, dry place away from incompatible materials is recommended to maintain its stability and prevent hazardous reactions.

Formula: C₁₀H₁₁N

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

InChI key: InChIKey=UCYVXSFAIBSXIM-UHFFFAOYSA-N

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

Synonyms:

• Benzyl isocyanide, α,α-dimethyl-
• Benzene, (1-isocyano-1-methylethyl)-
• α,α-Dimethylbenzyl isocyanide
• (1-Isocyano-1-methylethyl)benzene
• (2-Isocyanopropan-2-yl)benzene