5-Nitro-1-(2-propyn-1-yl)-1H-1,2,3-triazole
[CAS# 757995-72-5]

Identification

• Name: 5-Nitro-1-(2-propyn-1-yl)-1H-1,2,3-triazole
• Synonyms: 5-nitro-1-(prop-2-yn-1-yl)-1H-1,2,3-triazole
• Molecular Formula: C₅H₄N₄O₂
• Molecular Weight: 152.11
• CAS Registry Number: 757995-72-5
• SMILES: C#CCn1c(cnn1)[N+](=O)[O-]
• InChI: 1S/C5H4N4O2/c1-2-3-8-5(9(10)11)4-6-7-8/h1,4H,3H2
• InChIKey: PMDQYTUPLIHVPS-UHFFFAOYSA-N

Properties

• Density: 1.394g/cm³ (Cal.)
• Boiling point: 306.94°C at 760 mmHg (Cal.)
• Flash point: 139.433°C (Cal.)
• Refractive index: 1.625 (Cal.)