111991-09-4
Product Name:
Nicosulfuron
Formula:
C15H18N6O6S
Synonyms:
1-(4,6-Dimethoxy-2-pyrimidinyl)-3-[3-(dimethylcarbamoyl)-2-pyridylsulfonyl]urea;2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,N-dimethylnicotinamide
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Colorless white solid |
|---|---|
| Odor | Phenolic |
| Melting Point | 172 °C |
| Solubility | Solubilities (all in g/kg, 25 °C): acetone 18, ethanol 4.5, chloroform, DMF 64, acetonitrile 23, toluene 0.370, hexane <0.02, dichloromethane 160 |
| Density | 9.53 g/mL |
| Vapor Pressure | VP: 1.2X10-16 mm Hg at 25 °C |
| LogP | log Kow: 0.35 at pH 5; 1.8 at pH 7; -2 at pH 9 |
| Henry's Law Constant | Henry's Law constant = 4.13X10-18 atm-cu m/mol at 25 °C |
| Dissociation Constants | pKa = 4.60 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 410.4 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 410.10085349 g/mol |
| Monoisotopic Mass | 410.10085349 g/mol |
| Topological Polar Surface Area | 161 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 642 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nicosulfuron is a N-sulfonylurea that is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen. It has a role as an environmental contaminant, a xenobiotic and a herbicide. It is a member of pyridines, a N-sulfonylurea and a member of pyrimidines.