HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Methylpyridin-2-on
1-METHYLPYRIDIN-2(1H)-ONE · 1-methylpyridin-2-one · N-Methylpyridone · N-METHYL-2-PYRIDONE · 1-Methyl-2(1H)-pyridinone · 1-METHYL-2-PYRIDONE · N-METHYL-PYRIDONE-2 · 1-Methyl-2-pyridinone
Identifikatoren & physikalische Daten
| CAS No. | 694-85-9 |
|---|---|
| Summenformel | C6H7NO |
| Durchschnittliche Molmasse | 109,13 g/mol |
| Monoisotopische Masse | 109,05276384 g/mol |
| SMILES | Cn1ccccc1=O |
| InChIKey | DVVGIUUJYPYENY-UHFFFAOYSA-N |
| PubChem CID | 12755 |
| ChEMBL | CHEMBL12607 |
| ChEBI | CHEBI:194916 |
| EC No. | 211-777-2 |
| DTXSID | DTXSID8061008 |
| Lokaler Name | 1-Methylpyridin-2-on |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 158 |
| Stoffklassen | Nitrogen Compounds -> Pyridines |
| SpringerMaterials Properties | Boiling point |
| Dampfdruck | 0.06 [mmHg] |
| Physical Description | Liquidmp = 30-32 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 30-32 °C(lit.) |
| Siedepunkt | 250 °C740 mm Hg(lit.) |
| Dichte | 1.129 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.569 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Soluble in water (1000 mg/ml at 20°C). |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 0.30±0.62(Predicted) |
| Farbe | Red |
| BRN | 107805 |
| InChI | 1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3 |
| InChIKey | DVVGIUUJYPYENY-UHFFFAOYSA-N |
| SMILES | CN1C=CC=CC1=O |
| CAS Datenbank | 694-85-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2(1H)-Pyridinone, 1-methyl-(694-85-9) |
| EPA chemische Informationen | 2(1H)-Pyridinone, 1-methyl- (694-85-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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. |
|---|---|
| Gefahrenübersicht | An irritantHarmful by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29337900 |
| RTECS-Nr. | UV1148100 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Methyl-2-pyridone is used as a reactant in the trifluoromethylation of arenes and heteroarenes by means of photoredox catalysis.