3-(1,2,4-Triazol-1-Yl)But-3-En-2-One
[CAS# 104940-87-6]

Identification

• Name: 3-(1,2,4-Triazol-1-Yl)But-3-En-2-One
• Synonyms: 3-Buten-2-One, 3-(1H-1,2,4-Triazol-1-Yl)-; Aids-193621; Aids193621
• Molecular Formula: C₆H₇N₃O
• Molecular Weight: 137.14
• CAS Registry Number: 104940-87-6
• SMILES: C1=NC=N[N]1C(C(=O)C)=C
• InChI: 1S/C6H7N3O/c1-5(6(2)10)9-4-7-3-8-9/h3-4H,1H2,2H3
• InChIKey: JCNKYWSKIBJYHN-UHFFFAOYSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 321.255°C at 760 mmHg (Cal.)
• Flash point: 148.09°C (Cal.)