HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pyroquilon
CG 114 · CORATOP · fongoren · cga49104 · fongorene · Fungorene · FONGARENE · PYROQUILON
Identifikatoren & physikalische Daten
| CAS No. | 57369-32-1 |
|---|---|
| Summenformel | C11H11NO |
| Durchschnittliche Molmasse | 173,21 g/mol |
| Monoisotopische Masse | 173,08406397 g/mol |
| SMILES | O=C1CCc2cccc3c2N1CC3 |
| InChIKey | XRJLAOUDSILTFT-UHFFFAOYSA-N |
| PubChem CID | 91665 |
| ChEMBL | CHEMBL144366 |
| ChEBI | CHEBI:45141 |
| EC No. | 611-516-6 |
| DTXSID | DTXSID6058132 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 238 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Pestizide | FungicidesActive substance -> EU Pesticides database: Not approved |
| LogP (Verteilungskoeffizient) | 1.57 |
| Löslichkeit | 4 mg/mL at 20 °C4000 mg l-1 (20 °C) |
| Schmelzpunkt | 112 - 113 °C112℃ |
| Physical Description | Solid |
| Siedepunkt | 355.2±42.0 °C(Predicted) |
| Dichte | 1.25±0.1 g/cm3(Predicted) |
| Dampfdruck | 1.6 x 10-4 Pa (20 °C) |
| Lagerbedingungen | 0-6°C |
| pKa (Säurekonstante) | 1.81±0.20(Predicted) |
| Henry-Konstante | 5.1×103 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2 |
| InChIKey | XRJLAOUDSILTFT-UHFFFAOYSA-N |
| SMILES | N12CCC3=C1C(=CC=C3)CCC2=O |
| CAS Datenbank | 57369-32-1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | 2002/2076 |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Acute Tox. 4 * |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29334900 |
| RTECS-Nr. | UY9480000 |
| R-Sätze (R) | 22-52/53 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 3 |
Anwendungen & Verwendung
Verwenden
Pyroquilon is used for the control of blast (Pyricularia oryzae) in rice.