HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Diflufenican
dff · Diflufenica · Kwarc · Couger · Brodal · Canyon · Legato · JAVELIN
Identifikatoren & physikalische Daten
| CAS No. | 83164-33-4 |
|---|---|
| Summenformel | C19H11F5N2O2 |
| Durchschnittliche Molmasse | 394,3 g/mol |
| Monoisotopische Masse | 394,07406869 g/mol |
| SMILES | O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1 |
| InChIKey | WYEHFWKAOXOVJD-UHFFFAOYSA-N |
| PubChem CID | 91735 |
| ChEMBL | CHEMBL1425995 |
| ChEBI | CHEBI:81824 |
| EC No. | 617-446-2 |
| DTXSID | DTXSID4041494 |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 533 |
| Pestizide | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: ApprovedHerbicidesEnvironmental transformation -> Pesticides (parent, predecessor) |
| LogP (Verteilungskoeffizient) | 4.49 |
| Human Drugs | Pharmaceuticals |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 184.7 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID4041494]188.06 Ų [M+H]+ [CCS Type: TWIonization: GC-APCI+]182.46 Ų [M-H]- |
| Schmelzpunkt | 110°C |
| Siedepunkt | 376.2±42.0 °C(Predicted) |
| Dichte | 1.4301 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly), |
| pKa (Säurekonstante) | 9.03±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White |
| Merck | 14,3144 |
| BRN | 4212494 |
| Henry-Konstante | 6.4×101 mol/(m3Pa) at 25℃, Keshavarz et al. (2022) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27) |
| InChIKey | WYEHFWKAOXOVJD-UHFFFAOYSA-N |
| SMILES | C1(OC2=CC=CC(C(F)(F)F)=C2)=NC=CC=C1C(NC1=CC=C(F)C=C1F)=O |
| LogP (Verteilungskoeffizient) | 4.900 |
| CAS Datenbank | 83164-33-4(CAS DataBase Reference) |
| EPA chemische Informationen | 3-Pyridinecarboxamide, N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]- (83164-33-4) |
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)H302+H312 (34.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1490/20022008/66, Reg. (EU) 2018/1796, Reg. (EU) 2019/1589, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011Diflufenican: HSNO Approval: HSR003251 Approved with controls |
| Weitere Sicherheitsinformationen | IMAP assessments - 3-Pyridinecarboxamide, N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (34.9%)Aquatic Chronic 3 (100%)Hazardous to the aquatic environment (acute) - category 1Aquatic Acute 1 |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN3077(solid)UN3082 (liquid) |
| Zollcode | 2933.39.2500 |
| RTECS-Nr. | US4589800 |
| R-Sätze (R) | 52/53 |
| Toxizität | LD50 in mice, rats (mg/kg): >1000, >2000 orallyin rats (mg/kg): >2000 dermally (Cramp) |
| Sicherheitshinweise (S) | 61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1 |
Anwendungen & Verwendung
Verwenden
Pre and post emergence foliar absorbed herbicide for winter weed control in cereal crops; carotenoid biosynthesis inhibitor.