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Bensulfuron-methyl
BENSULFURON-METHYL · LONDAX · methylalpha-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-o-toluate · 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoic acid methyl ester · f5384 · CONDAX · C10937 · Mariner
Identifikatoren & physikalische Daten
| CAS No. | 83055-99-6 |
|---|---|
| Summenformel | C16H18N4O7S |
| Durchschnittliche Molmasse | 410,4 g/mol |
| Monoisotopische Masse | 410,08961992 g/mol |
| SMILES | COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1 |
| InChIKey | XMQFTWRPUQYINF-UHFFFAOYSA-N |
| PubChem CID | 54960 |
| ChEMBL | CHEMBL2313154 |
| ChEBI | CHEBI:3017 |
| EC No. | 401-340-6 |
| DTXSID | DTXSID7024164 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 154 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 627 |
| Pestizide | Pesticide -> EPA IRISPesticide (Bensulfuron methyl) -> USDA PDB |
| LogP (Verteilungskoeffizient) | 1.37 |
| Collision Cross Section | 197.8 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7024164] |
| Schmelzpunkt | 185-188°C |
| Dichte | 1.4087 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | 0-6°C |
| Löslichkeit | Acetonitrile (Slightly), Dichloromethane (Slightly), DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 12.34±0.70(Predicted) |
| Farbe | White to pale yellow |
| Geruch | odorless solid |
| BRN | 7447488 |
| Henry-Konstante | 7.0×1010 mol/(m3Pa) at 25℃, Armbrust (2000) |
| Stabilität | Moisture Sensitive, Unstable in Solution |
| Hauptanwendungen | agricultureenvironmental |
| InChI | InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22) |
| InChIKey | XMQFTWRPUQYINF-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=CC=C1CS(NC(NC1=NC(OC)=CC(OC)=N1)=O)(=O)=O |
| CAS Datenbank | 83055-99-6 |
| EPA chemische Informationen | Bensulfuron-methyl (83055-99-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1490/2002Bensulfuron methyl is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2889Bensulfuron methyl: HSNO Approval: HSR005351 Approved with controls |
| Hazard Classes and Categories | Skin Sens. 1 (100%)Skin sensitisation - category 1Hazardous to the aquatic environment (Acute) - Category 1 |
| Zielorgane | Hepatic |
| EPA IRIS Information | LondaxHepatic2 x 10 ^-1 mg/kg-day |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| RAIS Toxicity Values | 0.2IRIS Current |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | Bensulfuron-methylPesticide1000Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
| EPA Human Health Benchmarks for Pesticides | Bensulfuron methyl0.21000General PopulationHuman Health Benchmarks for Pesticides - 2021 Update |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 |
Anwendungen & Verwendung
Verwenden
Bensulfuron methyl (BSM) was the first sulfonylurea herbicide commercialized for use in rice, and it remains the dominant sulfonylurea for broadleaf and sedge weed control in this crop.