1083067-80-4

Basic information

• Product Name: 4-benzoyl-1-[(1,2,4-triazol-1-yl)acetyl]semicarbazide
• CAS NO: 1083067-80-4
• Molecular Weight: 288.266
• Mol File: 1083067-80-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-benzoyl-1-[(1,2,4-triazol-1-yl)acetyl]semicarbazide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-benzoyl-1-[(1,2,4-triazol-1-yl)acetyl]semicarbazide(1083067-80-4)
• EPA Substance Registry System: 4-benzoyl-1-[(1,2,4-triazol-1-yl)acetyl]semicarbazide(1083067-80-4)

Safety Data

• Hazardous Substances Data: 1083067-80-4(Hazardous Substances Data)

Upstream product

• 56563-02-1 2-(1H-1,2,4-triazol-1-yl)acetohydrazide 
• 4461-33-0 benzoyl isocyanate 

Downstream Products

• 553653-88-6 4-benzoyl-4,5-dihydro-1H-1,2,4-triazol-5-one 

Relevant articles and documents

Synthesis and structure of mono- and disubstituted derivatives of 4,5-dihydro-1H-1,2,4-triazol-5-one

In the reaction of hydrazide of 1,2,4-triazol-1-acetic acid with isocyanates the semi-carbazide derivatives were obtained (Ia-Ii). Depending on the chemical nature of the starting isocyanate, cyclization of Ia-Ii in alkaline medium led to formation of three groups of derivatives of 4,5-dihydro-1H-1,2,4- triazol-5-one (IIa-IIi). Alkyl and aryl substituents of semicarbazides formed 3,4-disubstituted compounds (IIa-IIf), the ethoxycarbonyl group promoted formation of 3-substituted compound IIg, while compounds IIh and IIi are 4-substituted triazol-5-ones resulting from benzoyl and benzenesulfonyl isocyanates. Molecular structures of three products (IIb, IIc, IId) were confirmed by the X-ray structure analysis. Different substituents at the N4 atom (ethyl in IIb, cyclohexyl in IIc and 1-naphthyl in IId) influence the molecular association pattern in the crystal structure.