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2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine
2-CHLORO METHYL-3,5-DIMETHYL-4-METHOXY P · TENA-004 · Esomeprazole Impurity 83 · Esomeprazole Impurity 101 · 2-Chloromethyl-3-,5-Dimethyl-4- · Omeprazole related compound impurities · 2-(Chloromethyl)-4-methoxy-3,5-lutidine · 2-Chloromethyl-3,5-dimethyl-4-methoxypyr
Identifikatoren & physikalische Daten
| CAS No. | 84006-10-0 |
|---|---|
| Summenformel | C9H12ClNO |
| Durchschnittliche Molmasse | 185,65 g/mol |
| Monoisotopische Masse | 185,06074168 g/mol |
| SMILES | COc1c(C)cnc(CCl)c1C |
| InChIKey | SRKVJDYNPSMHJM-UHFFFAOYSA-N |
| PubChem CID | 819992 |
| EC No. | 617-518-3 |
| DTXSID | DTXSID70356147 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 22,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 142 |
| Siedepunkt | 272.2±35.0 °C(Predicted) |
| Dichte | 1.112±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 5.56±0.40(Predicted) |
| CAS Datenbank | 84006-10-0(CAS DataBase Reference) |
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine is an intermediate in the synthesis of Omeprazole (O635000), an antiulcer agent.