1,1'-(1H-1,2,4-Triazole-3,5-Diyl)Diethanone
[CAS# 151675-62-6]

Identification

• Name: 1,1'-(1H-1,2,4-Triazole-3,5-Diyl)Diethanone
• Synonyms: 3,5-diacetyl-1,2,4-triazol
• Molecular Formula: C₆H₇N₃O₂
• Molecular Weight: 153.14
• CAS Registry Number: 151675-62-6
• SMILES: O=C(c1nc(C(=O)C)nn1)C
• InChI: 1S/C6H7N3O2/c1-3(10)5-7-6(4(2)11)9-8-5/h1-2H3,(H,7,8,9)
• InChIKey: BSENWGNTNMQPEQ-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 366.286°C at 760 mmHg (Cal.)
• Flash point: 178.962°C (Cal.)
• Refractive index: 1.542 (Cal.)

References

• (1): Ana I. Matesanz, Carolina Hernández, Ana Rodríguez and Pilar Souza. Novel bis(thiosemicarbazones) of the 3,5-diacetyl-1,2,4-triazol series and their platinum(ii) complexes: chemistry, antiproliferative activity and preliminary nephrotoxicity studies, Dalton Trans., 2011, 40, 5738.