HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Oxazolidin-2-on
oxazolidin-2-one · Oxazolidine · 2-OXAZOLIDINONE · Oxazolidone · NSC 35382 · 2-Oxazolinone · 2-OXAZOLIDIONE · 1,3-Oxazolidin-2-one
Identifikatoren & physikalische Daten
| CAS No. | 497-25-6 |
|---|---|
| Summenformel | C3H5NO2 |
| Durchschnittliche Molmasse | 87,08 g/mol |
| Monoisotopische Masse | 87,0320284 g/mol |
| SMILES | O=C1NCCO1 |
| InChIKey | IZXIZTKNFFYFOF-UHFFFAOYSA-N |
| PubChem CID | 73949 |
| ChEMBL | CHEMBL1867161 |
| ChEBI | CHEBI:1237 |
| EC No. | 207-840-9 |
| DTXSID | DTXSID2074326 |
| Lokaler Name | 1,3-Oxazolidin-2-on |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 71,2 |
| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Compounds |
| SpringerMaterials Properties | Crystal structure |
| Löslichkeit | >13.1 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Slightly, Heated), Methanol (Slightly)Soluble in water. |
| Physical Description | Beige crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 83-87 °C(lit.) |
| Siedepunkt | 220 °C48 mm Hg(lit.) |
| Dichte | 1.2736 (rough estimate) |
| Brechungsindex | 1.4940 (estimate) |
| Flammpunkt | 220°C/48mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 12.78±0.20(Predicted) |
| Aggregatzustand | Crystals or Powder |
| Farbe | Off-white to yellow-beige |
| BRN | 106251 |
| InChI | 1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5) |
| InChIKey | IZXIZTKNFFYFOF-UHFFFAOYSA-N |
| SMILES | O=C1NCCO1 |
| CAS Datenbank | 497-25-6(CAS DataBase Reference) |
| NIST chemische Informationen | Oxazolidin-2-one(497-25-6) |
| EPA chemische Informationen | 2-Oxazolidinone (497-25-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 47.4% (36 of 76) of reports.WarningH302 (51.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-OxazolidinonePMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Gefahrenübersicht | A strong eye irritantMay cause skin sensitizationHarmful by ingestion[Sigma-Aldrich MSDS] Search for (497-25-6[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results[PubMed] |
| Hazard Classes and Categories | Acute Tox. 4 (51.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29322980 |
| RTECS-Nr. | RQ2450000 |
| R-Sätze (R) | 22-36-43-40-36/37/38 |
| Toxizität | TDLo orl-mus: 1000 mg/kg:ETA BCPCA62,168,59 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37-37-36 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
As an oxazole derivative used as an antibiotic, 2-Oxazolidone is also used in the preparation of compounds with antitumor activity and as a metabolite of Furazolidone (F864100).