Sulfentrazone

Base Information

• Chemical Name: Sulfentrazone
• CAS No.: 122836-35-5
• Deprecated CAS: 111991-58-3
• Molecular Formula: C11H10Cl2F2N4O3S
• Molecular Weight: 387.194
• Hs Code.: 29350090
• UNII: 7TY7WT1599
• DSSTox Substance ID: DTXSID6032645
• Nikkaji Number: J712.371J
• Wikipedia: Sulfentrazone
• Wikidata: Q7636194
• Pharos Ligand ID: UAH9C1JC3L7H
• Metabolomics Workbench ID: 46714
• ChEMBL ID: CHEMBL1884669
• Mol file: 122836-35-5.mol

Synonyms:FP 846;FP-846;N-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenyl)methanesulfonamide;sulfentrazone

Chemical Property of Sulfentrazone

Chemical Property:

• Vapor Pressure: 6.1E-09mmHg at 25°C
• Melting Point: 121-123oC
• Refractive Index: 1.646
• Boiling Point: 468.2 °C at 760 mmHg
• PKA: 6.56(at 25℃)
• Flash Point: 237 °C
• PSA: 94.37000
• Density: 1.72 g/cm³
• LogP: 3.56960
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 385.9818731
• Heavy Atom Count: 23
• Complexity: 613

Purity/Quality:

94% ^*data from raw suppliers

Sulfentrazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Protox-Inhibiting
• Canonical SMILES: CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl
• Description: Solubility. In water at 25 ?C: 100 mg/L at pH 6, 800 mg/mL at pH 7, 1,600 mg/mL at pH 7.5; soluble to some extent in acetone and other polar organic solvents Pka. 6.56 Stability. Stable
• Uses: Sulfentrazone is an herbicide used for controlling sedges in turfgrass. Herbicide.

Technology Process of Sulfentrazone

There total 30 articles about Sulfentrazone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.6%

2-(5-amino-2,4-dichlorophenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one (111992-18-8) + methanesulfonyl chloride (124-63-0) → sulfentrazone (122836-35-5)

Guidance literature:

N,N-dimethyl-formamide; In xylene; at 140 ℃; for 4h; Conversion of starting material;

Reference yield: 99.4%

Methyl methanesulfonate (66-27-3) + 2-(5-amino-2,4-dichlorophenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one (111992-18-8) → sulfentrazone (122836-35-5)

Guidance literature:

2-(5-amino-2,4-dichlorophenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one; With dimethylbromosulphonium bromide; In dichloromethane; at 0 - 5 ℃; for 0.5h;

Methyl methanesulfonate; In dichloromethane; at 0 - 5 ℃; for 10h; Reagent/catalyst; Temperature; Solvent;

Reference yield: 99.0%

N-(2,4-dichloro-5-(4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazolidin-1-yl)phenyl) methanesulfonamide → sulfentrazone (122836-35-5)

Guidance literature:

With oxygen; pyrographite; In water; tert-butyl alcohol; at 40 ℃; for 1.66667h; under 7500.75 Torr;

upstream raw materials:

2-(5-amino-2,4-dichlorophenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one

methanesulfonyl chloride

4,5-dihydro-3-methyl-4-difluoromethyl-1-(2,4-dichlorophenyl)-1,2,4-triazol-5(1H)-one

1-(2-chlorophenyl)-3-methyl-1H-1,2,4-triazol-5(4H)-one