4-Benzoyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
[CAS# 553653-88-6]

Identification

• Name: 4-Benzoyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
• Synonyms: 4-benzoyl-1H-1,2,4-triazol-5(4H)-one
• Molecular Formula: C₉H₇N₃O₂
• Molecular Weight: 189.17
• CAS Registry Number: 553653-88-6
• SMILES: C1=CC=C(C=C1)C(=O)N2C=NNC2=O
• InChI: 1S/C9H7N3O2/c13-8(7-4-2-1-3-5-7)12-6-10-11-9(12)14/h1-6H,(H,11,14)
• InChIKey: JHXYPRWXVAWOOW-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.673 (Cal.)