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Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate
SPECS AE-508/36398048 · Methyl2-hydroxynicotinate,97% · Methyl 6-hydroxypyridin-3-carboxylate · 2-Hydroxy-nicotinic acid methyl ester · 1,2-Dihydro-3-(methoxycarbonyl)-2-oxopyridine · Methyl 2-oxo-l,2-dihydropyridine-3-carboxylate · METHYL 2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLATE · Methyl 1,2-dihydro-2-oxopyridine-3-carboxylate
Identifikatoren & physikalische Daten
| CAS No. | 10128-91-3 |
|---|---|
| Summenformel | C7H7NO3 |
| Durchschnittliche Molmasse | 153,14 g/mol |
| Monoisotopische Masse | 153,04259308 g/mol |
| SMILES | COC(=O)c1ccc[nH]c1=O |
| InChIKey | SILBTMNCGYLTOK-UHFFFAOYSA-N |
| PubChem CID | 579028 |
| EC No. | 692-281-7 |
| DTXSID | DTXSID40906037 |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 252 |
| Schmelzpunkt | 115-118°C |
| Siedepunkt | 367.6±42.0 °C(Predicted) |
| Dichte | 1.263±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 10.07±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Cream |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Zollcode | 2933399990 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.