1-Ethynyl-4-isocyanato-2(1H)-azetone
[CAS# 528871-30-9]

Identification

• Name: 1-Ethynyl-4-isocyanato-2(1H)-azetone
• Synonyms: 1-ethynyl-4-isocyanatoazet-2(1H)-one
• Molecular Formula: C₆H₂N₂O₂
• Molecular Weight: 134.09
• CAS Registry Number: 528871-30-9
• SMILES: C#CN1C(=CC1=O)N=C=O
• InChI: 1S/C6H2N2O2/c1-2-8-5(7-4-9)3-6(8)10/h1,3H
• InChIKey: IVJAPMCTVMIXKX-UHFFFAOYSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 190.933°C at 760 mmHg (Cal.)
• Flash point: 69.274°C (Cal.)
• Refractive index: 1.574 (Cal.)