Metsulfuron-methyl

Base Information

• Chemical Name: Metsulfuron-methyl
• CAS No.: 74223-64-6
• Deprecated CAS: 82197-07-7,860461-33-2
• Molecular Formula: C14H15N5O6S
• Molecular Weight: 381.369
• Hs Code.: 29339900
• European Community (EC) Number: 616-063-8
• UNII: 2589ET7417
• DSSTox Substance ID: DTXSID6023864
• Nikkaji Number: J327.334B
• Wikipedia: Metsulfuron-methyl
• Wikidata: Q4803950
• Metabolomics Workbench ID: 67767
• ChEMBL ID: CHEMBL1229749
• Mol file: 74223-64-6.mol

Synonyms:benzoic acid, 2-(((((4-methoxy-6-methyl-1,3,5-triazin-2- yl)methylamino)carbonyl)amino)sulfonyl)-, methyl ester;methyl 2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate;metsulfuron methyl;metsulfuron-methyl;triazine-2-14C metsulfuron-methyl;tribenuron methyl;tribenuron-methyl

Chemical Property of Metsulfuron-methyl

Chemical Property:

• Appearance/Colour: faint, sweet ester-like white to pale yellow solid
• Vapor Pressure: 1.23E-17mmHg at 25°C
• Melting Point: 158 °C
• Refractive Index: 1.593
• Boiling Point: 647.2 °C at 760 mmHg
• PKA: 2.55±0.10(Predicted)
• Flash Point: 345.2 °C
• PSA: 157.85000
• Density: 1.473 g/cm³
• LogP: 2.03030
• Storage Temp.: 0-6°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• Water Solubility.: 27mg/L(temperature not stated)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 381.07430439
• Heavy Atom Count: 26
• Complexity: 609

Purity/Quality:

95% ^*data from raw suppliers

Metsulfuron methyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Sulfonylurea
• Canonical SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
• Uses: Herbicide. Metsulfuron-methyl is a triazine urea herbicide used to control broad-leaved weeds in barley and wheat. Metsulfuron-methyl is an organic micro-pollutant.

Technology Process of Metsulfuron-methyl

There total 3 articles about Metsulfuron-methyl 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: 55.0%

4-methoxy-6-methyl-1,3,5-triazin-2-amine (1668-54-8) + 2-methoxycarbonylbenzenesulfonyl chloride (26638-43-7) → Metsulfuron-methyl (74223-64-6)

Guidance literature:

In 1-methyl-pyrrolidin-2-one;

Reference yield:

2-(methoxycarbonyl)benzenesulfonyl isocyanate (74222-95-0) + 4-methoxy-6-methyl-1,3,5-triazin-2-amine (1668-54-8) → Metsulfuron-methyl (74223-64-6)

Guidance literature:

In dichloromethane;

Reference yield:

→ Metsulfuron-methyl (74223-64-6)

Guidance literature:

upstream raw materials:

4-methoxy-6-methyl-1,3,5-triazin-2-amine

2-methoxycarbonylbenzenesulfonyl chloride

2-(methoxycarbonyl)benzenesulfonyl isocyanate

Downstream raw materials:

benzoic acid methyl ester

methyl 2-(aminosulfonyl)benzoate

2-(methoxycarbonyl)benzenesulfonyl isocyanate

4-methoxy-6-methyl-1,3,5-triazin-2-amine

Refernces

• 1、 -. "Halopyridyl triazolinone herbicides and herbicidal use thereof". . . Retrieved 2008/06/13.
• 2、 -. "Herbicidal compound concentrate". . . Retrieved 2008/06/13.