HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pyrimidifen
SU-9118 · -4-amine · MITECLEAN · Pyrimedifen · Pyrimidifen · Pyrimidifen solution · PYRIMIDIFEN STANDARD · pyrimidifen (bsi,iso)
Identifikatoren & physikalische Daten
| CAS No. | 105779-78-0 |
|---|---|
| Summenformel | C20H28ClN3O2 |
| Durchschnittliche Molmasse | 377,9 g/mol |
| Monoisotopische Masse | 377,18700482 g/mol |
| SMILES | CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C |
| InChIKey | ITKAIUGKVKDENI-UHFFFAOYSA-N |
| PubChem CID | 6451139 |
| ChEBI | CHEBI:38604 |
| EC No. | 600-677-8 |
| DTXSID | DTXSID9057925 |
Chemische & physikalische Eigenschaften
| XLogP | 4,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 56,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 388 |
| Pestizide | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approved |
| Schmelzpunkt | 157-161℃ |
| Siedepunkt | 535.6±50.0 °C(Predicted) |
| Dichte | 1.45 |
| Lagerbedingungen | 0-6°C |
| pKa (Säurekonstante) | 4.09±0.10(Predicted) |
| BRN | 11644658 |
| Henry-Konstante | 3.6×104 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24) |
| InChIKey | ITKAIUGKVKDENI-UHFFFAOYSA-N |
| SMILES | CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301: Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%)Acute toxicity (Oral) - Category 3 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all |
| R-Sätze (R) | 22-50/53 |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 60-61 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1 |
Anwendungen & Verwendung
Verwenden
Pyrimidifen is used as pesticide.