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1-[(4-Chlorphenyl)methyl]-1-cyclopentyl-3-phenylharnstoff
Trotis · ntn19701 · MONCEREN · NTN 5201 · pencycurn · PENCYCURON · Pencycurone · MONCEREN (TM)
![Molekülstruktur von 1-[(4-Chlorphenyl)methyl]-1-cyclopentyl-3-phenylharnstoff](/img/chemical/91692.png)
Identifikatoren & physikalische Daten
| CAS No. | 66063-05-6 |
|---|---|
| Summenformel | C19H21ClN2O |
| Durchschnittliche Molmasse | 328,8 g/mol |
| Monoisotopische Masse | 328,13424097 g/mol |
| SMILES | O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1 |
| InChIKey | OGYFATSSENRIKG-UHFFFAOYSA-N |
| PubChem CID | 91692 |
| ChEMBL | CHEMBL2229452 |
| ChEBI | CHEBI:7957 |
| EC No. | 266-096-3 |
| DTXSID | DTXSID3042261 |
| Lokaler Name | 1-[(4-Chlorphenyl)methyl]-1-cyclopentyl-3-phenylharnstoff |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 370 |
| Pestizide | PesticidesFungicidesActive substance -> EU Pesticides database: Not approvedEnvironmental transformation -> Pesticides (parent, predecessor) |
| LogP (Verteilungskoeffizient) | 4.7 |
| Collision Cross Section | 180.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: Pesticides]179.71 Ų [M+H]+ [CCS Type: TW] |
| Schmelzpunkt | 130~135℃ |
| Siedepunkt | 528.5±42.0 °C(Predicted) |
| Dichte | 1.1257 (rough estimate) |
| Dampfdruck | 5 x 10-10 Pa (20 °C) |
| Brechungsindex | 1.5790 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly, Sonicated)0.3 mg l-1 (20 °C) |
| pKa (Säurekonstante) | 14.80±0.70(Predicted) |
| Farbe | White to Off-White |
| BRN | 2154416 |
| Henry-Konstante | 2.0×106 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23) |
| InChIKey | OGYFATSSENRIKG-UHFFFAOYSA-N |
| SMILES | Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1 |
| CAS Datenbank | 66063-05-6(CAS DataBase Reference) |
| NIST chemische Informationen | Pencycuron(66063-05-6) |
| EPA chemische Informationen | Pencycuron (66063-05-6) |
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)This chemical does not meet GHS hazard criteria for 8.1% (3 of 37) of reports.H400 (83.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 33/2008Directive 91/414/EEC, Reg. (EU) 2018/1266, Reg. (EU) 2020/1643, Reg. (EU) 2022/801, Reg. (EU) No 540/2011REACH registered substance: 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea (EC: 266-096-3)Pencycuron: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Aquatic Acute 1 (83.8%)Hazardous to the aquatic environment (acute) - category 1 |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN3002 (liquid phenylurea) |
| RTECS-Nr. | YS6440000 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1 |
Anwendungen & Verwendung
Verwenden
Pencycuron is used for the control of diseases caused by Rhizoctonia solani and Pellicularia spp. in potatoes, rice (sheath blight), cotton, sugar beet, vegetables, ornamentals and turf. It can be applied to foliage or by incorporation into the soil.