HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoat
SULFOMETURON METHYL · DPX-T5648 · oust · aa5648 · Oust[R] · dpx5648 · Oust 75DF · Oust(Du Pont)
![Molekülstruktur von Methyl-2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoat](/img/chemical/52997.png)
Identifikatoren & physikalische Daten
| CAS No. | 74222-97-2 |
|---|---|
| Summenformel | C15H16N4O5S |
| Durchschnittliche Molmasse | 364,4 g/mol |
| Monoisotopische Masse | 364,0841408 g/mol |
| SMILES | COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1 |
| InChIKey | ZDXMLEQEMNLCQG-UHFFFAOYSA-N |
| PubChem CID | 52997 |
| ChEMBL | CHEMBL513261 |
| ChEBI | CHEBI:9348 |
| EC No. | 277-780-6 |
| DTXSID | DTXSID0034936 |
| Lokaler Name | Methyl-2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoat |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 136 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 581 |
| Schmelzpunkt | 203-205°C |
| Siedepunkt | 197°C (rough estimate) |
| Dichte | 1.48 |
| Brechungsindex | 1.6000 (estimate) |
| pKa (Säurekonstante) | 5.7(at 25℃) |
| Henry-Konstante | 8.2×1012 mol/(m3Pa) at 25℃, Armbrust (2000) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21) |
| InChIKey | ZDXMLEQEMNLCQG-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2 |
| CAS Datenbank | 74222-97-2(CAS DataBase Reference) |
| EPA chemische Informationen | Sulfometuron methyl (74222-97-2) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 2 |
|---|---|
| UN-Transportnummer | UN3077 9/PG 3 |
| RTECS-Nr. | DG9096550 |
| R-Sätze (R) | 50 |
| Toxizität | LD50 in male, female rats (mg/kg): >5000, >5000 orally (Harding) |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 74222-97-2(Hazardous Substances Data) |
| Gefahrenklasse | Aquatic Acute 1 |
Anwendungen & Verwendung
Verwenden
Metsulfuron-methyl is a sulfonylurea herbicide that inhibits the synthesis of branched-chain amino acids, thereby inhibiting cell division at the growing tips of plants, preventing the growth of weeds, and leading to chlorosis and necrosis. It is suitable for the control of annual and perennial grass weeds and broadleaf weeds in forestry.
Herstellung & Synthese
synthetische
Sulfometuron-methyl is produced by reaction of 2-sulfonylisocyanate methylbenzoate with 2-amino-4,6-dimethylpyrimidine.