Bensulfuron

Base Information

• Chemical Name: Bensulfuron
• CAS No.: 99283-01-9
• Deprecated CAS: 110280-01-8,96081-37-7
• Molecular Formula: C15H16N4O7S
• Molecular Weight: 396.381
• European Community (EC) Number: 874-914-0
• UNII: 1G14TM383F
• DSSTox Substance ID: DTXSID3074949
• Nikkaji Number: J602.685K
• Wikidata: Q27252370
• Mol file: 99283-01-9.mol

Synonyms:Bensulfuron;99283-01-9;Bensulfuron [ISO];2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid;UNII-1G14TM383F;1G14TM383F;2-((((((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid;2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoic acid;Benzoic acid, 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)-;Benzoic acid, 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]-;Bensulfuron (free acid);SCHEMBL20834;DTXSID3074949;C15H16N4O7S;CHEBI:132880;C15-H16-N4-O7-S;Q27252370;2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid;alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid;.ALPHA.-((4,6-DIMETHOXYPYRIMIDIN-2-YLCARBAMOYL)SULFAMOYL)-O-TOLUIC ACID

Chemical Property of Bensulfuron

Chemical Property:

• Melting Point: 185-188oC
• Refractive Index: 1.621
• PKA: 3.59±0.36(Predicted)
• PSA: 165.19000
• Density: 1.524 g/cm³
• LogP: 2.38820
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 396.07397004
• Heavy Atom Count: 27
• Complexity: 612

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bensulfuron ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC

Technology Process of Bensulfuron

There total 1 articles about Bensulfuron 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:

bensulfuron methyl (83055-99-6,104466-83-3) → 2-{[({[(4,6-dimethoxypyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]methyl}benzoic acid (99283-01-9)

Guidance literature:

With sodium hydroxide; at 65 ℃; for 1.5h;

DOI:10.1021/jf011150b

upstream raw materials:

bensulfuron methyl

Refernces