CAS 1041635-05-5

1-(1-Isocyanoethyl)-2-methylbenzene

Description:

1-(1-Isocyanoethyl)-2-methylbenzene, also known by its CAS number 1041635-05-5, is an organic compound characterized by the presence of both an isocyanide functional group and a methyl-substituted aromatic ring. The structure features a 2-methylbenzene (or o-xylene) moiety, which contributes to its aromatic properties, enhancing stability and influencing its reactivity. The isocyanide group (-N≡C) is known for its unique reactivity, particularly in forming complexes with metal ions and participating in various organic reactions, such as the synthesis of isocyanides and other nitrogen-containing compounds. This compound may exhibit moderate to low solubility in water, typical of many aromatic compounds, while being more soluble in organic solvents. Its potential applications could span across fields such as materials science, pharmaceuticals, and organic synthesis, where isocyanides are valuable intermediates. However, specific safety and handling guidelines should be followed due to the toxicity associated with isocyanides.

Formula: C₁₀H₁₁N

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

InChI key: InChIKey=MJUWCELFQSHTGT-UHFFFAOYSA-N

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

Synonyms:

• Benzene, 1-(1-isocyanoethyl)-2-methyl-
• 1-(1-Isocyanoethyl)-2-methylbenzene