111992-09-7

Basic information

• Product Name: 2-(4-Bromo-2-fluorophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one
• Synonyms: 2-(4-Bromo-2-fluorophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one
• CAS NO: 111992-09-7
• Molecular Formula: C₉H₇BrFN₃O
• Molecular Weight: 272.07
• Mol File: 111992-09-7.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Density: 1.78
• CAS DataBase Reference: 2-(4-Bromo-2-fluorophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-Bromo-2-fluorophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one(111992-09-7)
• EPA Substance Registry System: 2-(4-Bromo-2-fluorophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one(111992-09-7)

Safety Data

• Hazardous Substances Data: 111992-09-7(Hazardous Substances Data)

Usage

General Description

The chemical 2-(4-Bromo-2-fluorophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one is a compound with a triazole ring and a bromo-fluoro-substituted phenyl group. It is a synthetic compound with potential pharmaceutical applications, including as an antifungal or antiparasitic agent. The presence of the bromo and fluoro substituents on the phenyl ring suggests that this compound may have specific and potent biological activities. Additionally, the presence of the triazole ring indicates that it has potential for interaction with biological enzymes or receptors. Further studies and research are needed to fully understand the pharmacological potential and biological effects of this compound.

Upstream product

• 111992-08-6 2-(2-(4-bromo-2-fluorophenyl)hydrazono)propanoic acid 
• 367-24-8 4-bromo-2-fluoroaniline 

Downstream Products

• 111992-11-1 1-(4-bromo-2-fluoro-5-nitrophenyl)-4-difluoromethyl-3-methyl-1H-1,2,4-triazol-5-one 
• 111992-12-2 1-(5-amino-4-bromo-2-fluorophenyl)-4-difluoromethyl-3-methyl-1H-1,2,4-triazol-5-one 

Relevant articles and documents

Design and synthesis of 1-(benzothiazol-5-yl)-1H-1,2,4-triazol-5-ones as protoporphyrinogen oxidase inhibitors

Protoporphyrinogen oxidase (PPO, E.C. 1.3.3.4) is the action target for several structurally diverse herbicides. A series of novel 4-(difluoromethyl)-1- (6-halo-2-substituted-benzothiazol-5-yl)-3-methyl-1H-1,2,4-triazol-5(4H)-ones 2a-z were designed and synthesized via the ring-closure of two ortho-substituents. The in vitro bioassay results indicated that the 26 newly synthesized compounds exhibited good PPO inhibition effects with Ki values ranging from 0.06 to 17.79 μM. Compound 2e, ethyl 2-{[5-(4- (difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl) -6-fluorobenzo-thiazol-2-yl]thio}acetate, was the most potent inhibitor with Ki value of 0.06 μM against mtPPO, comparable to (Ki = 0.03 μM) sulfentrazone. Further green house assays showed that compound 2f (Ki = 0.24 μM, mtPPO), ethyl 2-{[5-(4-(difluoromethyl)-3-methyl-5- oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6-fluorobenzothiazol-2-yl]thio} propanoate, showed the most promising post-emergence herbicidal activity with broad spectrum even at concentrations as low as 37.5 g ai/ha. Soybean exhibited tolerance to compound 2f at the dosages of 150 g ai/ha, whereas they are susceptible to sulfentrazone even at 75 g ai/ha. Thus, compound 2f might be a potential candidate as a new herbicide for soybean fields.