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3-Methyl-2-pyridon
3-Methylpyridin-2(1H)-one · 2(1H)-Pyridinone, 3-methyl- · 2-Hydroxy-3-picoline · 2-HYDROXY-3-METHYLPYRIDINE · AKOS BBS-00002968 · 3-METHYL-2-PYRIDONE · 3-Methyl-2-pyridinol · 2-Hydroxy-3-Piocoline
Identifikatoren & physikalische Daten
| CAS No. | 1003-56-1 |
|---|---|
| Summenformel | C6H7NO |
| Durchschnittliche Molmasse | 109,13 g/mol |
| Monoisotopische Masse | 109,05276384 g/mol |
| SMILES | Cc1ccc[nH]c1=O |
| InChIKey | MVKDNXIKAWKCCS-UHFFFAOYSA-N |
| PubChem CID | 70481 |
| ChEMBL | CHEMBL4548076 |
| ChEBI | CHEBI:194930 |
| EC No. | 213-710-2 |
| DTXSID | DTXSID50143118 |
| Lokaler Name | 3-Methyl-2-pyridon |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 167 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 139-141 °C |
| Siedepunkt | 204.59°C (rough estimate) |
| Dichte | 1.1143 (rough estimate) |
| Brechungsindex | 1.5444 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in methanol. |
| pKa (Säurekonstante) | 12.61±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| BRN | 1422044 |
| InChI | InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8) |
| InChIKey | MVKDNXIKAWKCCS-UHFFFAOYSA-N |
| SMILES | C1(=O)NC=CC=C1C |
| CAS Datenbank | 1003-56-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2(1H)-pyridinone, 3-methyl-(1003-56-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333995 |
| R-Sätze (R) | 36/37/38-20/21/22-41-37/38-22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 36/37/39-26-22-36 |
Anwendungen & Verwendung
Verwenden
3-Methyl-2-pyridone, is used as a reactant with chloro-methoxy-methane to produce 1-methoxymethyl-3-methyl-1H-pyridin-2-one. This reaction will need reagent solvent CH2Cl2. The reaction time is 24 hours with ambient temperature