HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Penflufen
Evergol? · Penflufen · Penflufen Solution · Penflufen in Acetone · Penflufen in Acetonitrile · Penflufen@100 μg/mL in Methanol · Penflufen 100 μg/mL in Acetonitrile · 2′-[(RS)-1,3-Dimethylbutyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxanilide
Identifikatoren & physikalische Daten
| CAS No. | 494793-67-8 |
|---|---|
| Summenformel | C18H24FN3O |
| Durchschnittliche Molmasse | 317,4 g/mol |
| Monoisotopische Masse | 317,19034061 g/mol |
| SMILES | Cc1nn(C)c(F)c1C(=O)Nc1ccccc1C(C)CC(C)C |
| InChIKey | GOFJDXZZHFNFLV-UHFFFAOYSA-N |
| PubChem CID | 11674113 |
| ChEBI | CHEBI:83134 |
| EC No. | 619-823-7 |
| DTXSID | DTXSID9058107 |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 404 |
| Pestizide | FungicidesActive substance -> EU Pesticides database: Not approvedPesticide (Penflufen) -> USDA PDB |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 381.0±42.0 °C(Predicted) |
| Dichte | 1.12±0.1 g/cm3(Predicted) |
| Löslichkeit | Chloroform (Slightly), Methanol (Very Slightly) |
| pKa (Säurekonstante) | 11.69±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| BRN | 12363231 |
| Henry-Konstante | 3.2×104 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23) |
| InChIKey | GOFJDXZZHFNFLV-UHFFFAOYSA-N |
| SMILES | CC(C)CC(C)c1ccccc1NC(=O)c2c(C)nn(C)c2F |
| EPA chemische Informationen | 1H-Pyrazole-4-carboxamide, N-[2-(1,3-dimethylbutyl)phenyl]-5-fluoro-1,3-dimethyl- (494793-67-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH351: Suspected of causing cancer [Warning Carcinogenicity]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)H351 (62.9%): Suspected of causing cancer [Warning Carcinogenicity] |
|---|---|
| Regulatorische Informationen | Regulation (EC) No 1107/2009 (amended)Penflufen is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Reg. (EU) 2018/155, Reg. (EU) 2020/2007, Reg. (EU) 2022/1468, Reg. (EU) 2023/1447, Reg. (EU) No 1031/2013, Reg.(EU) No 2018/185 |
| Hazard Classes and Categories | Carc. 2 (62.9%)Carcinogenicity - category 2 |
| RAIS Toxicity Values | 0.5OPP0.38 |
| EPA Human Health Benchmarks for Pesticides | Penflufen0.53000Children0.382200 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3077 9 / PGIII |
| R-Sätze (R) | 50/53 |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1Carc. 2 |
Anwendungen & Verwendung
Verwenden
Penflufen fungicidal compounds for controlling or preventing infestation of plants by phytopathogenic microorganisms.