HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pretilachlor
Azoxystrobin technical · retilachlor · pretilachlore · SOFIT · RIFIT · cg113 · SOLNET · C14517
Identifikatoren & physikalische Daten
| CAS No. | 51218-49-6 |
|---|---|
| Summenformel | C17H26ClNO2 |
| Durchschnittliche Molmasse | 311,8 g/mol |
| Monoisotopische Masse | 311,16520675 g/mol |
| SMILES | CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC |
| InChIKey | YLPGTOIOYRQOHV-UHFFFAOYSA-N |
| PubChem CID | 91644 |
| ChEMBL | CHEMBL1867271 |
| ChEBI | CHEBI:34931 |
| EC No. | 610-630-3 |
| DTXSID | DTXSID8058112 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 287 |
| Pestizide | HerbicidesActive substance -> EU Pesticides database: Not approvedPesticide (Pretilachlor) -> USDA PDB |
| LogP (Verteilungskoeffizient) | 4.08 |
| Collision Cross Section | 147.9 Ų [M-2H+Na]- |
| Schmelzpunkt | 25°C |
| Siedepunkt | bp0.001 135° |
| Dichte | 1.0521 (rough estimate) |
| Brechungsindex | nD20 1.5204 |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Insoluble in waterChloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 1.41±0.50(Predicted) |
| Aggregatzustand | Liquid (Density: 1.074±0.06 g/cm3) |
| Wichte | 1.076 (20℃) |
| Farbe | Light yellow to Brown |
| Merck | 14,7740 |
| BRN | 2754162 |
| Henry-Konstante | 4.5×103 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3 |
| InChIKey | YLPGTOIOYRQOHV-UHFFFAOYSA-N |
| SMILES | CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC |
| CAS Datenbank | 51218-49-6(CAS DataBase Reference) |
| NIST chemische Informationen | Pretilachlor(51218-49-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (58.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P316, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 70 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H315: Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| Regulatorische Informationen | 2004/129/EC |
| Hazard Classes and Categories | Skin Irrit. 2 (58.6%)Acute toxicity (Oral) - Category 5Skin corrosion/irritation - Category 2 |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 3082 9/PG 3 |
| Zollcode | 29242990 |
| RTECS-Nr. | AB5427000 |
| R-Sätze (R) | 38-50/53 |
| Toxizität | LD50 in rats (mg/kg): 6099 orally>3100 dermally (Rufener, Quadranti)LC50 in rainbow trout, carp, catfish: 3.0, 3.0, 2.6 ppm (Vogel, Aebi) |
| Gefahrensymbole | XiN,N,Xi |
| Sicherheitshinweise (S) | 60-61 |
| Gefahrenklasse | 9Acute Tox. 3 InhalationSkin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Pretilachlor is a chloroacetanalide herbicide. Pretilachlor is commonly used for weed control in wet seeded rice