HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Azimsulfuron
dpx47 · a8947 · Expret · JS 458 · In-A 894 · GULLIVER · in-a8947 · dpx-a8947
Identifikatoren & physikalische Daten
| CAS No. | 120162-55-2 |
|---|---|
| Summenformel | C13H16N10O5S |
| Durchschnittliche Molmasse | 424,4 g/mol |
| Monoisotopische Masse | 424,10258461 g/mol |
| SMILES | COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1 |
| InChIKey | MAHPNPYYQAIOJN-UHFFFAOYSA-N |
| PubChem CID | 86355 |
| ChEBI | CHEBI:81746 |
| EC No. | 601-676-5 |
| DTXSID | DTXSID8041614 |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 189 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 11 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 665 |
| Pestizide | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approvedPesticide (Azimsulfuron) -> USDA PDB |
| LogP (Verteilungskoeffizient) | 0.65 |
| Löslichkeit | 1050 mg/L @ 20 °C (exp)Solubility in organic solvents (g/l at 25 °C) Acetone 26.4 Acetonitrile 13.9 Ethyl acetate 13.0 Dichloromethane 65.9 n‐Hexane <0.2 Methanol 2.1 Toluene 1.8Solubility in water (g/l at 20 °C): 0.072 (pH 5) 1.050 (pH 7) 6.536 (pH 9). |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 170 °C170° |
| Physical Description | Solid |
| Dichte | 1.74±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.6(at 25℃) |
| Farbe | White to Off-White |
| BRN | 8284859 |
| Henry-Konstante | 2.0×109 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24) |
| InChIKey | MAHPNPYYQAIOJN-UHFFFAOYSA-N |
| SMILES | COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(cnn2C)-c3nnn(C)n3)n1 |
| LogP (Verteilungskoeffizient) | 0.650 |
| CAS Datenbank | 120162-55-2(CAS DataBase Reference) |
| EPA chemische Informationen | Azimsulfuron (120162-55-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 737/20071999/80/EC, 2007/21/EC, 2010/54/EU, Reg. (EU) 2022/801, Reg. (EU) No 540/2011, Reg. (EU) No 704/2011 |
| Hazard Classes and Categories | Aquatic Acute 1 (100%)Hazardous to the aquatic environment (acute) - category 1 |
| Wassergefährdungsklasse (WGK) | WGK 2 |
| UN-Transportnummer | UN 3077 9 / PGIII |
| Zollcode | 29350090 |
| R-Sätze (R) | 50/53 |
| Toxizität | LD50 in rats, bobwhite quail, mallard duck (mg/kg): >5000, >2250, >2250 orallyin rats (mg/kg): >2000 dermally (Marquez)LC50 (96 hr) in carp, bluegill sunfish, rainbow trout (ppm): >300, >1000, 154 (Marquez) |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 60-61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1 |
Anwendungen & Verwendung
Verwenden
Azimsulfuron may be used as an analytical reference standard for the determination of the pesticide in:Paddy field water by direct injection using liquid chromatography-hybrid triple quadrupole-linear ion trap-mass spectrometry (LC-QqLIT-MS).Tap and leaching water samples by solid-phase extraction (SPE), followed by LC coupled to tandem mass spectrometry (LC-MS/MS).