31952-61-1

Basic information

• Product Name: 1,2,4-Triazin-3(2H)-one, 5-phenyl- (9CI)
• Synonyms: 1,2,4-Triazin-3(2H)-one, 5-phenyl- (9CI);5-Phenyl-1,2,4-triazin-3-ol;5-Phenyl-1,2,4-triazine-3(2H)-one
• CAS NO: 31952-61-1
• Molecular Formula: C₉H₇N₃O
• Molecular Weight: 173.17
• Mol File: 31952-61-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 447.4°Cat760mmHg
• Flash Point: 224.4°C
• Appearance: /
• Density: 1.31g/cm³
• Vapor Pressure: 1.27E-08mmHg at 25°C
• Refractive Index: 1.664
• PKA: 10.48±0.40(Predicted)
• CAS DataBase Reference: 1,2,4-Triazin-3(2H)-one, 5-phenyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,4-Triazin-3(2H)-one, 5-phenyl- (9CI)(31952-61-1)
• EPA Substance Registry System: 1,2,4-Triazin-3(2H)-one, 5-phenyl- (9CI)(31952-61-1)

Safety Data

• Hazardous Substances Data: 31952-61-1(Hazardous Substances Data)

Usage

Class

Triazine compounds

Applications

a. Pharmaceutical
b. Agricultural (exhibits biological and herbicidal activities)
c. Building block in the synthesis of other organic compounds

Structure

Triazine ring with a phenyl group attached to the fifth carbon atom

Physical appearance

White crystalline solid

Melting point

211-215 degrees Celsius

Safety

Handle and use with care, following proper safety protocols and handling guidelines

InChI:InChI=1/C9H7N3O/c13-9-11-8(6-10-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12,13)

Upstream product

• 942-60-9 5-phenyl-1,2,4-triazin-3-amine 
• 28735-28-6 3-methoxy-5-phenyl-1,2,4-triazine 
• 591-51-5 phenyllithium 
• 17331-61-2 3,5-bis(trimethylsilyloxy)-1,2,4-triazine 
• 1075-06-5 2,2-dihydroxy-1-phenyl-ethanone 

Downstream Products

• 98454-59-2 2-benzyl-5-phenyl-1,2,4-triazin-3(2H)-one 
• 72428-36-5 3-chloro-5-phenyl-1,2,4-triazine 
• 72428-37-6 3-bromo-5-phenyl-1,2,4-triazine 
• 942-60-9 5-phenyl-1,2,4-triazin-3-amine 
• 98454-65-0 2-benzyl-5-phenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one 
• 18162-28-2 5-phenyl-1,2,4-triazine 
• 55-21-0 benzamide 
• 72428-35-4 3-fluoro-5-phenyl-1,2,4-triazine 
• 72428-38-7 3-iodo-5-phenyl-1,2,4-triazine 
• 72428-40-1 2-phenyl-4-(p-methylphenyl)-1,3,5-triazine 
• 72428-41-2 (5-phenyl-1,2,4-triazin-3-yl)trimethylammonium chloride 
• 24108-43-8 3,5-diphenyl-1,2,4-triazine 
• 34103-49-6 N,N-dimethyl-5-phenyl-1,2,4-triazin-3-amine 

Relevant articles and documents

Reactions of π-electron rich 1,2,4-triazines with organolithium nucleophiles

3,5-Bis(trimethylsilyloxy)-1,2,4-triazine 1 and 3-methylthio-5-methoxy-1,2,4-triazine 6 were subjected to reactions with organolithium reagents at low temperatures. An unexpected regioselectivity in the addition of butyllithiums to 1, which was strongly d

Pharmacologically active substituted 1,2,4-triazines

Substituted 1,2,4-triazines, compositions thereof and methods of using same are described. The compounds of the invention exhibit a wide range of pharmacological activity including anti-inflammatory, analgesic, anti-pyretic, hypotensive and central nervous system effects.