3-(Isocyanatomethyl)-5-Isopropyl-1,2,4-Oxadiazole
[CAS# 180990-32-3]

Identification

• Name: 3-(Isocyanatomethyl)-5-Isopropyl-1,2,4-Oxadiazole
• Synonyms: 3-(isocyanatomethyl)-5-isopropyl-1,2,4-oxadiazole
• Molecular Formula: C₇H₉N₃O₂
• Molecular Weight: 167.17
• CAS Registry Number: 180990-32-3
• SMILES: CC(C)c1nc(no1)CN=C=O
• InChI: 1S/C7H9N3O2/c1-5(2)7-9-6(10-12-7)3-8-4-11/h5H,3H2,1-2H3
• InChIKey: RJTWNLVQOONUFY-UHFFFAOYSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 253.078°C at 760 mmHg (Cal.)
• Flash point: 106.858°C (Cal.)
• Refractive index: 1.565 (Cal.)