ORTHOSULFAMURON

Base Information

• Chemical Name: ORTHOSULFAMURON
• CAS No.: 213464-77-8
• Molecular Formula: C16H20N6O6S
• Molecular Weight: 424.43
• Hs Code.: 2935009015
• European Community (EC) Number: 606-744-8
• UNII: RO0AIV9EYN
• DSSTox Substance ID: DTXSID4034788
• Nikkaji Number: J3.178.741F
• Wikidata: Q22808482
• Metabolomics Workbench ID: 143670
• ChEMBL ID: CHEMBL3561054
• Mol file: 213464-77-8.mol

Synonyms:2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide;2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}amino)-N,N-dimethylbenzamide;Orthosulfamuron;1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea;2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]amino]-N,N-dimethylbenzamide;

Chemical Property of ORTHOSULFAMURON

Chemical Property:

• Vapor Pressure: <1.1 × 10-4 (Pa at 25 °C)
• Melting Point: 160–162°C
• Refractive Index: 1.624
• PKA: Dissociation constant (pKa at 20 °C) Predicted to have five overlapping dissociation constants: ?1.4, 0.7, 3.5, 9.6, 11.5
• PSA: 160.23000
• Density: 1.466 g/cm³
• LogP: 2.29170
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Solubility in organic solvents (g/l at 20 °C) Acetone 20 Ethyl acetate 3.3 Dichloromethane 56 n‐Heptane 0.00023 Methanol 8.3 Xylene 0.13
• Water Solubility.: Solubility in water (g/l at 20 °C) 0.026 (pH 4, buffer) 0.63 (pH 7, buffer) 39 (pH 8.5, buffer)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 424.11650355
• Heavy Atom Count: 29
• Complexity: 657

Purity/Quality:

99% ^*data from raw suppliers

Orthosulfamuron ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
• Uses: Orthosulfamuron can be used in biological study and agricultural use of herbicidal composition comprising erlukuilincaotong, cyhalofop-?butyl and sulfonylurea herbicide, and its application in controlling annual weed of rice field.