HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Imidazol-4,5-dicarbonsure
1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID · edicarboxyL · AKOS AUF2071 · 4,5-ImidazoL · AKOS BBS-00002898 · IFLAB-BB F1918-0019 · RARECHEM AL BO 1102 · 4,5-Dicarboxymidazole
Identifikatoren & physikalische Daten
| CAS No. | 570-22-9 |
|---|---|
| Summenformel | C5H4N2O4 |
| Durchschnittliche Molmasse | 156,1 g/mol |
| Monoisotopische Masse | 156,01710661 g/mol |
| SMILES | O=C(O)c1nc[nH]c1C(=O)O |
| InChIKey | ZEVWQFWTGHFIDH-UHFFFAOYSA-N |
| PubChem CID | 68442 |
| EC No. | 209-327-5 |
| DTXSID | DTXSID6060349 |
| Lokaler Name | Imidazol-4,5-dicarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 103 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 193 |
| Stoffklassen | Nitrogen Compounds -> Imidazoles |
| Physical Description | Off-white powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 280-285 °C (dec.) (lit.) |
| Siedepunkt | 280.29°C (rough estimate) |
| Dichte | 1,749 g/cm3 |
| Brechungsindex | 1.4800 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 0.5g/l0.5g/L(20 ºC) |
| pKa (Säurekonstante) | 3.59±0.10(Predicted) |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | Light yellow to yellow-brown |
| pH | 3.7 (0.5g/l, H2O, 20℃) |
| BRN | 147774 |
| InChI | 1S/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11) |
| InChIKey | ZEVWQFWTGHFIDH-UHFFFAOYSA-N |
| SMILES | OC(=O)c1nc[nH]c1C(O)=O |
| CAS Datenbank | 570-22-9(CAS DataBase Reference) |
| NIST chemische Informationen | 4,5-Imidazole dicarboxylic acid(570-22-9) |
| EPA chemische Informationen | 1H-Imidazole-4,5-dicarboxylic acid (570-22-9) |
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Imidazole-4,5-dicarboxylic acid1H-Imidazole-4,5-dicarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Imidazole. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29332990 |
| RTECS-Nr. | NI4760000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 13 - Non Combustible Solids |
| Selbstentzündungstemperatur | 430°C |
Anwendungen & Verwendung
Verwenden
4,5-Imidazoledicarboxylic acid is an imidazole used for research purposes.