HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Azetidinone
AZETIDIN-2-ONE · azetidinone · 2-Azetidone · PROPIOLACTAM · AZETAN-2-ONE · 2-AZETIDINONE · 2-Azetidinone 98% · BETA-PROPIOLACTAM
Identifikatoren & physikalische Daten
| CAS No. | 930-21-2 |
|---|---|
| Summenformel | C3H5NO |
| Durchschnittliche Molmasse | 71,08 g/mol |
| Monoisotopische Masse | 71,03711378 g/mol |
| SMILES | O=C1CCN1 |
| InChIKey | MNFORVFSTILPAW-UHFFFAOYSA-N |
| PubChem CID | 136721 |
| ChEMBL | CHEMBL344042 |
| ChEBI | CHEBI:35627 |
| EC No. | 628-180-1 |
| DTXSID | DTXSID30239225 |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 59,9 |
| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Compounds |
| SpringerMaterials Properties | Coriolis coupling |
| Physical Description | Beige crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 74-76 °C (lit.) |
| Siedepunkt | 106 °C/15 mmHg (lit.) |
| Dichte | 1.0347 (rough estimate) |
| Brechungsindex | 1.4035 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | chloroform: very soluble(lit.) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.86±0.20(Predicted) |
| Farbe | Clear |
| BRN | 104563 |
| InChI | InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5) |
| InChIKey | MNFORVFSTILPAW-UHFFFAOYSA-N |
| SMILES | N1CCC1=O |
| CAS Datenbank | 930-21-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| UN-Transportnummer | UN 3263 8/PG 2 |
| Zollcode | 2933998090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Azetidinone was used in synthesis of optically pure densely functionalized γ-lactams.