CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [Merck Index] Colorless or white to pale yellow solid with a mild sweet ester-like odor; [HSDB] |
|---|---|
| Color/Form | White crytals |
| Odor | Faint, sweet, ester-like |
| Melting Point | 163 °C |
| Solubility | Solubility (mg/L at 25 °C): hexane 5.84X10-1, ethyl acetate 1.11X10+4, methanol 7.63X10+3, acetone 3.7X10+4, dichloromethane 1.32X10+5, toluene 1.24X10+3. |
| Vapor Pressure | 0.000058 [mmHg] |
| LogP | log Kow = 2.20 |
| Stability/Shelf Life | Photolytically stable. |
| Dissociation Constants | pKa = 3.8 at 20 °C |
| Chemical Classes | Pesticides -> Herbicides, Sulfonylurea |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 381.37 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 381.07430439 g/mol |
| Monoisotopic Mass | 381.07430439 g/mol |
| Topological Polar Surface Area | 158 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 609 |
| 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
Metsulfuron methyl is a N-sulfonylurea in which the sulfonyl group is attached to a 2-(methoxycarbonyl)phenyl group while a (4-methoxy-6-methyl-1,3,5-triazin-2-yl group replaces one of the amino hydrogens of the remaining urea group. It has a role as a herbicide, an environmental contaminant and a xenobiotic. It is a member of 1,3,5-triazines, a benzoate ester and a N-sulfonylurea.