HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Alloxan
Alloxane · Pyrimidine-2,4,5,6(1H,3H)-tetraone · ALOXAN · ALLOXAN · ALLOXAN 98% · Mesoxalurea · Alloxan 7169 · MESOXALYLUREA
Identifikatoren & physikalische Daten
| CAS No. | 2244-11-3 |
|---|---|
| Summenformel | C4H2N2O4 |
| Durchschnittliche Molmasse | 142,07 g/mol |
| Monoisotopische Masse | 142,00145654 g/mol |
| SMILES | O=C1NC(=O)C(=O)C(=O)N1 |
| InChIKey | HIMXGTXNXJYFGB-UHFFFAOYSA-N |
| PubChem CID | 5781 |
| ChEMBL | CHEMBL1096009 |
| ChEBI | CHEBI:76451 |
| EC No. | 200-062-0 |
| DTXSID | DTXSID5044946 |
| Lokaler Name | Alloxan |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 92,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 222 |
| Stoffklassen | Nitrogen Compounds -> Pyrimidines |
| pH | Acid to litmus |
| SpringerMaterials Properties | Crystal structure |
| LogP (Verteilungskoeffizient) | log Kow = -1.84-1.86 |
| Dichte | 1.071.8588 (rough estimate) |
| Color/Form | Orthorhombic crystals from anhydrous acetone or glacial acetic acid or by sublimation in vacuo. Turns pink at 230 °C ... Hot aqueous solutions are yellow and become colorless on cooling |
| Löslichkeit | Sol in benzeneSoluble in acetone, alcohol, methanol, glacial acetic acidslightly soluble in chloroform, petroleum ether, toluene, ethyl acetate and acetic anhydride. Insoluble in ether.Freely soluble in water.8g/L(temperature not stated) |
| Siedepunkt | Sublimes259.59°C (rough estimate) |
| Schmelzpunkt | 256 °C (decomposes)~245 °C (dec.) |
| Physical Description | Solid[Merck Index] Tetrahydrate: White solid[Reidel-de Haen MSDS] |
| Dissociation Constants | pKa = 6.63 at 25 °C |
| Other Experimental Properties | Anhydrous ... Aqueous solns, after being in contact with the human skin for some time, give it a red color and a disagreeable odor.Turns pink at 230 °CLarge triclinic prisms or oblique monoclinic rhombs from water. /Tetrahydrate/By heating tetrahydrate at 100 °C or by exposing it to the air. Forms triclinic pinacoidal crystals /Monohydrate/For more Other Experimental Properties (Complete) data for ALLOXAN (6 total), please visit the HSDB record page. |
| Brechungsindex | 1.4610 (estimate) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | pK (25°) 6.63 |
| CAS Datenbank | 50-71-5(CAS DataBase Reference) |
| NIST chemische Informationen | Alloxan(50-71-5) |
| EPA chemische Informationen | 2,4,5,6(1H,3H)-Pyrimidinetetrone (50-71-5) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Alloxan: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Gefahrenübersicht | Intraperitoneal injection in pregnant rats at day of fertilization causes rare incidence of hyperglycemia and low frequency of malformations at 80 to 100 mg/kg, where doses of 110 to 150 mg/kg cause severe hyperglycemia and maternal or embryonic deathSelectively cytotoxic to pancreatic islet B-cells (human B-cells are resistant to concentrations highly toxic in mice and rats)Emergency treatment: VacorVacor destroys pancreatic beta cellsIn human poisoning cases after ingestion, Vacor caused orthostatic hypotension, autonomic dysfunction, encephalopathy, peripheral neuropathy, hyperglycemia, and ketoacidosisSystemic poisoning not reported after inhalation or skin absorptionA dose as low as 19 grams of Vacor may be fatal[HSDB] Causes diabetes mellitus, effects on fertility, and other changes to retina, blood, brain, and liver in toxic-dose studies of rats (intraperitoneal and intravenous routes)[RTECS] Tetrahydrate: An eye irritant[Reidel-de Haen MSDS] See Pyriminil. |
| Hazardous Reactivities and Incompatibilities | Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust explosion hazard. /Alloxan monohydrate/ |
| Brandbekämpfungsverfahren | Small fire: Use DRY chemical powder. Large Fire: Use water spray, fog or foam. Do not use water jet. /Alloxan monohydrate/ |
| Lagerbedingungen | Keep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 8 °C (46.4 °F). /Alloxan monohydrate/ |
| Reinigungsverfahren | Small Spill: Use appropriate tools to put the spilled solid in a convenient waste disposal container. FInish cleaning by spreading water on the contaminated surface and dispose of according to local and regional authority requirements. Large Spill: Use a shovel to put the material into a convenient waste disposal container. FInish cleaning by spreading water on the contaminated surface and allow to evacate through the sanitary system. /Alloxan monohydrate/ |
| Entsorgungsverfahren |
Anwendungen & Verwendung
Verwenden
Alloxan is used in biochemical research, cosmetics, organic synthesis.