1-(1-Isocyanato-1-methylethyl)-4-(1-methylethenyl)benzene
[CAS# 2889-58-9]

Identification

• Name: 1-(1-Isocyanato-1-methylethyl)-4-(1-methylethenyl)benzene
• Synonyms: 1-(1-Isocyanato-1-Methyl-Ethyl)-4-Isopropenyl-Benzene; 1-(1-Isocyanato-1-Methylethyl)-4-Isopropenylbenzene; 1-(2-Isocyanatopropan-2-Yl)-4-Prop-1-En-2-Yl-Benzene
• Molecular Formula: C₁₃H₁₅NO
• Molecular Weight: 201.27
• CAS Registry Number: 2889-58-9
• SMILES: O=C=NC(C)(C)C1=CC=C(C=C1)C(C)=C
• InChI: 1S/C13H15NO/c1-10(2)11-5-7-12(8-6-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3
• InChIKey: JRLLJITWABKEKE-UHFFFAOYSA-N

Properties

• Density: 0.926g/cm³ (Cal.)
• Boiling point: 275.616°C at 760 mmHg (Cal.)
• Flash point: 84.008°C (Cal.)