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4-Methoxy-2,3,5-trimethylpyridine
Esomeprazole Impurity 112 · Omeprazole Related Compound 2 · Omeprazole related impurities 2 · 4-methoxy-2,3,5-trimethylpyridine · Pyridine, 4-methoxy-2,3,5-trimethyl- · Omeprazole Related Compound 2 (4-Methoxy-2, 3, 5-Trimethylpyridine)
Identifikatoren & physikalische Daten
| CAS No. | 109371-19-9 |
|---|---|
| Summenformel | C9H13NO |
| Durchschnittliche Molmasse | 151,21 g/mol |
| Monoisotopische Masse | 151,09971404 g/mol |
| SMILES | COc1c(C)cnc(C)c1C |
| InChIKey | LELDJUYQEMKHJH-UHFFFAOYSA-N |
| PubChem CID | 127899 |
| EC No. | 600-915-0 |
| DTXSID | DTXSID40148915 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 22,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 127 |
| Siedepunkt | 227.2±35.0 °C(Predicted) |
| Dichte | 0.972±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 7.83±0.28(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
4-Methoxy-2,3,5-trimethylpyridine is a reagent in the synthesis of Omeprazole, which is a proton pump inhibitor used for the reduction of stomach acids.