HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1H-imidazole-2-carbaldehyde
1H-IMIDAZOLE-2-CARBALDEHYDE · 2-imidazolecarbaldehyde · 2-IMIDAZOLECARBOXALDEHYDE · IMIDAZOLE-2-CARBALDEHYDE · 2-FORMYLIMIDAZOLE · 1H-IMIDAZOLE-2-CARBOXALDEHYDE · 1H-iMidazol-2-carbaldehyde · JACS-10111-08-7
Identifikatoren & physikalische Daten
| CAS No. | 10111-08-7 |
|---|---|
| Summenformel | C4H4N2O |
| Durchschnittliche Molmasse | 96,09 g/mol |
| Monoisotopische Masse | 96,03236275 g/mol |
| SMILES | O=Cc1ncc[nH]1 |
| InChIKey | XYHKNCXZYYTLRG-UHFFFAOYSA-N |
| PubChem CID | 24955 |
| EC No. | 600-165-4 |
| DTXSID | DTXSID70143736 |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 74,1 |
| Schmelzpunkt | 209 °C (dec.) (lit.) |
| Siedepunkt | 296.5±23.0 °C(Predicted) |
| Dichte | 1.322±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly, Sonicated)Soluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 11.48±0.10(Predicted) |
| Farbe | Light Brown to Brown |
| BRN | 4371302 |
| InChI | InChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1-3H,(H,5,6) |
| InChIKey | XYHKNCXZYYTLRG-UHFFFAOYSA-N |
| SMILES | C1(C=O)NC=CN=1 |
| CAS Datenbank | 10111-08-7(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-imidazole-2-carboxaldehyde(10111-08-7) |
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 50 reports by companies from 9 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 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29332900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-36/37/39-3 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1H-Imidazole-2-carboxaldehyde is a novel PTP1b inhibitor with potential application to treat type 2 diabetes.