HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Hydroxy-5-methyl-3-nitropyridine
5-Methyl-3-nitro-2-pyridinol · 2-HYDROXY-3-NITRO-5-PICOLINE · 5-Methyl-3-nitropyridin-2-ol · 6-Hydroxy-5-nitro-3-picoline · 3-(NITRO)-5-METHYLPYRIDIN-2-OL · 5-Methyl-3-nitro-2(1H)-pyridone · 5-Methyl-3-nitropyridin-2(1H)-one · 5-METHYL-3-NITRO-2(1H)-PYRIDINONE
Identifikatoren & physikalische Daten
| CAS No. | 7464-14-4 |
|---|---|
| Summenformel | C6H6N2O3 |
| Durchschnittliche Molmasse | 154,12 g/mol |
| Monoisotopische Masse | 154,03784205 g/mol |
| SMILES | Cc1c[nH]c(=O)c([N+](=O)[O-])c1 |
| InChIKey | QAINEQVHSHARMD-UHFFFAOYSA-N |
| PubChem CID | 345643 |
| ChEMBL | CHEMBL1451314 |
| EC No. | 625-895-0 |
| DTXSID | DTXSID90323215 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 272 |
| Löslichkeit | >23.1 [ug/mL] (The mean of the results at pH 7.4)soluble in Dimethylformamide |
| Schmelzpunkt | 179 °C (dec.) (lit.) |
| Siedepunkt | 353.3±35.0 °C(Predicted) |
| Dichte | 1.24 g/mL at 25 °C(lit.) |
| Flammpunkt | 179 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 8.78±0.10(Predicted) |
| Farbe | White to Yellow |
| InChI | 1S/C6H6N2O3/c1-4-2-5(8(10)11)6(9)7-3-4/h2-3H,1H3,(H,7,9) |
| InChIKey | QAINEQVHSHARMD-UHFFFAOYSA-N |
| SMILES | Cc1cnc(O)c(c1)[N+]([O-])=O |
| CAS Datenbank | 7464-14-4(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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933399990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Hydroxy-5-methyl-3-nitropyridine may be used in the preparation of 2-chloro-5-methyl-3-nitropyridine via chlorination, using thionyl chloride. It may also be used is preparing proteasome inhibitors containing 5-methylpyridin-2(1H)-one moiety.