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1,4-Dioxan-2,6-dion
1,4-DIOXANE-2,6-DIONE · 4-Maleimidobutyric acid hydrazide hydrochloride · SKL267 · p-Dioxane-2,6-dione · digylcolic anhydride · DIGLYCOLIC ANHYDRIDE · Oxydiacetic anhydride · 1,4-DIOXINE-2,6-DIONE
Identifikatoren & physikalische Daten
| CAS No. | 4480-83-5 |
|---|---|
| Summenformel | C4H4O4 |
| Durchschnittliche Molmasse | 116,07 g/mol |
| Monoisotopische Masse | 116,01095861 g/mol |
| SMILES | O=C1COCC(=O)O1 |
| InChIKey | PIYNUZCGMLCXKJ-UHFFFAOYSA-N |
| PubChem CID | 78232 |
| EC No. | 224-761-5 |
| DTXSID | DTXSID90196305 |
| Lokaler Name | 1,4-Dioxan-2,6-dion |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 114 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 92-93 °C (lit.) |
| Siedepunkt | 240-241 °C (lit.) |
| Dichte | 1.4230 |
| Brechungsindex | 1.5800 (estimate) |
| Flammpunkt | 240-241°C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Soluble in chloroform. |
| Aggregatzustand | Crystalline Powder, Crystals or Needles |
| Farbe | White to pale cream |
| BRN | 112527 |
| Stabilität | Hygroscopic, Moisture Sensitive |
| InChI | 1S/C4H4O4/c5-3-1-7-2-4(6)8-3/h1-2H2 |
| InChIKey | PIYNUZCGMLCXKJ-UHFFFAOYSA-N |
| SMILES | O=C1COCC(=O)O1 |
| CAS Datenbank | 4480-83-5(CAS DataBase Reference) |
| NIST chemische Informationen | 1,4-Dioxane-2,6-dione(4480-83-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2923 |
| Zollcode | 29189090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Diglycolic anhydride is used in the preparation of N,N-diethyldiglycollamsaeure by reacting with diethylamine. It is an useful bio chemical for proteomics research.