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2,6-Dichlor-3-nitropyridin
6-Dichloro-3-nitropyridine · PYRIDINE, 2,6-DICHLORO-3-NITRO- · 26DC3NP · TIMTEC-BB SBB003614 · 2,6-Dichloro-3-nitro · Flupirtine Impurity H · DICHLORONITROPYRIDINE · Dichloro-3-nitropyrid
Identifikatoren & physikalische Daten
| CAS No. | 16013-85-7 |
|---|---|
| Summenformel | C5H2Cl2N2O2 |
| Durchschnittliche Molmasse | 192,98 g/mol |
| Monoisotopische Masse | 191,94933266 g/mol |
| SMILES | O=[N+]([O-])c1ccc(Cl)nc1Cl |
| InChIKey | SHCWQWRTKPNTEM-UHFFFAOYSA-N |
| PubChem CID | 85239 |
| EC No. | 240-151-1 |
| DTXSID | DTXSID10166803 |
| Lokaler Name | 2,6-Dichlor-3-nitropyridin |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 161 |
| LogP (Verteilungskoeffizient) | 1.96 |
| Schmelzpunkt | 55-60 °C(lit.) |
| Siedepunkt | 295.5±35.0 °C(Predicted) |
| Dichte | 1.6791 (rough estimate) |
| Brechungsindex | 1.6100 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | -5.76±0.10(Predicted) |
| Farbe | Clear colorless to light yellow |
| BRN | 1619741 |
| InChI | InChI=1S/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H |
| InChIKey | SHCWQWRTKPNTEM-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC(Cl)=CC=C1[N+]([O-])=O |
| CAS Datenbank | 16013-85-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (95.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (95.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-42/43-43 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-26-36/37-37/39-24-36/37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,6-Dichloro-3-nitropyridine was used:in the synthesis of pyridyldifluoroacetatesas starting reagent in the preparation of bicyclooxacalixhetarene
Verwenden
2,6-Dichloro-3-nitropyridine is a starting compound for the synthesis of a sulfide analog of Flupirtine with KV7.2/3 channel opening activity. 2,6-Dichloro-3-nitropyridine can be used in pain research.