3-Ethynyl-1,2-Oxazole-4-Carbonitrile 2-Oxide
[CAS# 528871-42-3]

Identification

• Name: 3-Ethynyl-1,2-Oxazole-4-Carbonitrile 2-Oxide
• Synonyms: 4-cyano-3-ethynylisoxazole 2-oxide
• Molecular Formula: C₆H₂N₂O₂
• Molecular Weight: 134.09
• CAS Registry Number: 528871-42-3
• SMILES: C#Cc1c(co[n+]1[O-])C#N
• InChI: 1S/C6H2N2O2/c1-2-6-5(3-7)4-10-8(6)9/h1,4H
• InChIKey: IZDQDJVIHPXUCQ-UHFFFAOYSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 305.307°C at 760 mmHg (Cal.)
• Flash point: 138.445°C (Cal.)
• Refractive index: 1.554 (Cal.)