HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Flumiclorac-pentyl
pentyl-[2-chloro-5-(cyclohex-1-ene-1,2-dicarboxamido)-4-fluorophenoxy] acetate · S 2303 · V 23031 · S 23031 · RESOURCE · SUMIVERDE · Pentyl ester · Flumiclorac-pe
Identifikatoren & physikalische Daten
| CAS No. | 87546-18-7 |
|---|---|
| Summenformel | C21H23ClFNO5 |
| Durchschnittliche Molmasse | 423,9 g/mol |
| Monoisotopische Masse | 423,12487874 g/mol |
| SMILES | CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl |
| InChIKey | IRECWLYBCAZIJM-UHFFFAOYSA-N |
| PubChem CID | 443048 |
| ChEMBL | CHEMBL1897630 |
| ChEBI | CHEBI:5104 |
| EC No. | 618-030-3 |
| DTXSID | DTXSID2032554 |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 654 |
| Pestizide | HerbicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, Protox-InhibitingPesticide (Flumiclorac pentyl) -> USDA PDB |
| LogP (Verteilungskoeffizient) | 4.99 |
| Collision Cross Section | 196.2 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID2032554] |
| Schmelzpunkt | 90-91℃ |
| Siedepunkt | 558.0±50.0 °C(Predicted) |
| Dichte | d20 1.3316 |
| Lagerbedingungen | 0-6°C |
| pKa (Säurekonstante) | -2.32±0.20(Predicted) |
| EPA chemische Informationen | Flumiclorac-pentyl (87546-18-7) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Flumiclorac pentyl is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141) |
|---|---|
| Gefahrenübersicht | No evidence of reproductive, developmental, or neurological toxicity[Reference #1] Causes changes in clotting factors in 90-day intermittent oral study of dogs[RTECS] |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| RAIS Toxicity Values | 1OPP |
| EPA Human Health Benchmarks for Pesticides | Flumiclorac pentyl16000General PopulationHuman Health Benchmarks for Pesticides - 2021 Update |
| Zollcode | 29251900 |
| Toxizität | LD50 in rats (mg/kg): >5000 orally>2000 dermally (Kamoshita) |
Anwendungen & Verwendung
Verwenden
Flumiclorac-pentyl is a herbicide.