HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Benzyl-4-piperidon
1-BENZYLPIPERIDIN-4-ONE · N-BENZYL-4-PIPERIDONE · 1-BENZYL-4-PIPERIDONE · -4-piperidone · Benzyl piperidone · N-Benzylpiperidin-4-one · NSC 77933 · N-BENZYLPIPERIDONE
Identifikatoren & physikalische Daten
| CAS No. | 3612-20-2 |
|---|---|
| Summenformel | C12H15NO |
| Durchschnittliche Molmasse | 189,25 g/mol |
| Monoisotopische Masse | 189,1153641 g/mol |
| SMILES | O=C1CCN(Cc2ccccc2)CC1 |
| InChIKey | SJZKULRDWHPHGG-UHFFFAOYSA-N |
| PubChem CID | 19220 |
| ChEMBL | CHEMBL491630 |
| EC No. | 222-782-4 |
| DTXSID | DTXSID30189695 |
| Lokaler Name | 1-Benzyl-4-piperidon |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 186 |
| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Compounds |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Yellow liquid[Alfa Aesar MSDS] |
| Siedepunkt | 134 °C7 mm Hg(lit.) |
| Dichte | 1.021 g/mL at 25 °C(lit.) |
| Dampfdruck | 0.079-0.15Pa at 20-25℃ |
| Brechungsindex | n20/D 1.541(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | 12g/l12 g/L (20 ºC) |
| Aggregatzustand | Oily Liquid |
| pKa (Säurekonstante) | 7.07±0.20(Predicted) |
| Wichte | 1.021 |
| Farbe | Clear colorless to straw |
| BRN | 128556 |
| InChI | 1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChIKey | SJZKULRDWHPHGG-UHFFFAOYSA-N |
| SMILES | O=C1CCN(CC1)Cc2ccccc2 |
| LogP (Verteilungskoeffizient) | 2.1 at 20℃ and pH9 |
| CAS Datenbank | 3612-20-2(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Piperidinone, 1-(phenylmethyl)-(3612-20-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.2% (1 of 84) of reports.WarningH302 (46.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 84 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 4-Piperidinone, 1-(phenylmethyl)-Status: Active Update: 07-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/225384-Piperidinone, 1-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Not a skin or eye irritant in rabbitsMay cause skin sensitizationHarmful by ingestion[Alfa Aesar MSDS] Search for (3612-20-2[EC/RN Number]) AND (sensitizer OR sensitization OR dermatitis OR allergic): no results[PubMed] See 1-Methyl-4-piperidone. |
| Hazard Classes and Categories | Acute Tox. 4 (46.4%) |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333999 |
| R-Sätze (R) | 36/37/38-43-22-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
A substituted piperidine as pesticide