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3-Methyl-5-nitro-2-pyridon
3-Methyl-5-nitro-2-pyridon · 3-METHYL-5-NITRO-2-PYRIDONE · 3-methyl-5-nitropyridin-2-ol · 3-METHYL-5-NITRO-2-PYRIDINOL · 2-HYDROXY-5-NITRO-3-PICOLINE · 2-Hydroxy-3-Methyl-5-nitropyri · 2-Hydroxy-5-nitro-3-picoline,98% · 3-methyl-5-nitro-1H-pyridin-2-one
Identifikatoren & physikalische Daten
| CAS No. | 21901-34-8 |
|---|---|
| Summenformel | C6H6N2O3 |
| Durchschnittliche Molmasse | 154,12 g/mol |
| Monoisotopische Masse | 154,03784205 g/mol |
| SMILES | Cc1cc([N+](=O)[O-])c[nH]c1=O |
| InChIKey | FPTYZBDNBMVYCL-UHFFFAOYSA-N |
| PubChem CID | 89097 |
| EC No. | 244-647-9 |
| DTXSID | DTXSID40176314 |
| Lokaler Name | 3-Methyl-5-nitro-2-pyridon |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 272 |
| Schmelzpunkt | 230-234 °C |
| Siedepunkt | 277.46°C (rough estimate) |
| Dichte | 1.4564 (rough estimate) |
| Brechungsindex | 1.5100 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Dimethylformamide |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 8.65±0.10(Predicted) |
| Farbe | Light yellow to Brown to Dark green |
| BRN | 126949 |
| InChI | 1S/C6H6N2O3/c1-4-2-5(8(10)11)3-7-6(4)9/h2-3H,1H3,(H,7,9) |
| InChIKey | FPTYZBDNBMVYCL-UHFFFAOYSA-N |
| SMILES | Cc1cc(cnc1O)[N+]([O-])=O |
| CAS Datenbank | 21901-34-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (91.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-41-37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 37/39-26-36 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Hydroxy-3-methyl-5-nitropyridine serves as a coupling partner in Cu-catalyzed reactions with diaryliodonium salts to produce coupled products in 87% yield within 5 minutes[6]. The compound exhibits unreactivity in certain catalytic systems, attributed to the decreased nucleophilicity of the hydroxypyridine moiety[7].