HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Benzoyl-4-piperidon
1-BENZOYL-4-PIPERIDONE · NSC 97564 · N-BENZOYLPIPERIDONE · N-Benzoylpiperidinone · N-BENZOYL-4-PIPERIDONE · 1-Benzoyl-piperidinoine · N-Benzoylpiperidone 98% · N-benzoylpiperidine-one
Identifikatoren & physikalische Daten
| CAS No. | 24686-78-0 |
|---|---|
| Summenformel | C12H13NO2 |
| Durchschnittliche Molmasse | 203,24 g/mol |
| Monoisotopische Masse | 203,09462866 g/mol |
| SMILES | O=C1CCN(C(=O)c2ccccc2)CC1 |
| InChIKey | NZAXGZYPZGEVBD-UHFFFAOYSA-N |
| PubChem CID | 90583 |
| EC No. | 246-407-9 |
| DTXSID | DTXSID80179425 |
| Lokaler Name | N-Benzoyl-4-piperidon |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 246 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 55-59 °C (lit.) |
| Siedepunkt | 158-160 °C/0.2 mmHg (lit.) |
| Dichte | 1.1255 (rough estimate) |
| Brechungsindex | 1.5440 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | methylene chloride: soluble |
| pKa (Säurekonstante) | -1.45±0.20(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| BRN | 158848 |
| InChI | 1S/C12H13NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-5H,6-9H2 |
| InChIKey | NZAXGZYPZGEVBD-UHFFFAOYSA-N |
| SMILES | O=C1CCN(CC1)C(=O)c2ccccc2 |
| CAS Datenbank | 24686-78-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333999 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Benzoyl-4-piperidone can be used as starting reagent in the synthesis of fentanyl.