4115-37-1

Basic information

• Product Name: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[(phenylmethylene)amino]-
• CAS NO: 4115-37-1
• Molecular Formula: C9H8N4O
• Molecular Weight: 188.189
• Mol File: 4115-37-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[(phenylmethylene)amino]-(CAS DataBase Reference)
• NIST Chemistry Reference: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[(phenylmethylene)amino]-(4115-37-1)
• EPA Substance Registry System: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[(phenylmethylene)amino]-(4115-37-1)

Safety Data

• Hazardous Substances Data: 4115-37-1(Hazardous Substances Data)

Upstream product

• 1003-23-2 4-amino-1,2,4-triazol-5-one 
• 100-52-7 benzaldehyde 

Downstream Products

• 100-47-0 benzonitrile 
• 122333-32-8 3-hydroxy-1,1,4-triazole 

Relevant articles and documents

Gas-phase elimination reactions of 4-arylideneimino-1,2,4-triazol-3(2H)-ones and their 3(2H)-thione analogues

4-Arylideneimino-1,2,4-triazol-3(2H)-ones (1-4) and their thio analogues (5-8) were pyrolysed in the gas phase. The reactions were homogeneous and free from catalytic and radical pathways. Analysis of the pyrolysate showed the elimination products to be substituted benzonitriles and the corresponding 3-hydroxy-1,2,4-triazoles and their thio analogues. The kinetic results and product analysis lend support to a reaction pathway involving a six-membered transition state. At 500 K, the thiooxotriazoles 5-8 were found to be 103-fold more reactive than the corresponding oxotriazoles 1-4. The reactivities of the 2-oxotriazoles were compared with those of the substituted 2-oxopyridine-3-carbonitriles.