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2-Chlor-6-methoxypyridin
6-Methoxy-2-chloropyridine · Chloro-6-Methoxypyrid · oro-6-methoxypyridine · 2-Chlor-6-methoxypyridine · 2-CHLORO-6-METHOXYPYRIDINE · 6-Chloro-2-methoxypyridine · 2-Methoxy-6-chloropyridine · Pyridine, 2-chloro-6-methoxy-
Identifikatoren & physikalische Daten
| CAS No. | 17228-64-7 |
|---|---|
| Summenformel | C6H6ClNO |
| Durchschnittliche Molmasse | 143,57 g/mol |
| Monoisotopische Masse | 143,01379149 g/mol |
| SMILES | COc1cccc(Cl)n1 |
| InChIKey | VAVGOGHLNAJECD-UHFFFAOYSA-N |
| PubChem CID | 87009 |
| EC No. | 241-264-9 |
| DTXSID | DTXSID00169247 |
| Lokaler Name | 2-Chlor-6-methoxypyridin |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 22,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 89,1 |
| Siedepunkt | 185-186 °C (lit.) |
| Dichte | 1.207 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.528(lit.) |
| Flammpunkt | 169 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 0.40±0.10(Predicted) |
| Farbe | Colorless to Almost colorless |
| BRN | 1364500 |
| InChI | InChI=1S/C6H6ClNO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3 |
| InChIKey | VAVGOGHLNAJECD-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC(OC)=CC=C1 |
| CAS Datenbank | 17228-64-7(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, 2-chloro-6-methoxy-(17228-64-7) |
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 46 reports by companies from 6 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 |
| UN-Transportnummer | 2810 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Chloro-6-methoxy-pyridine is a reagent used to synthesize imidazo[1,2-a]pyrimidines as functionally selective GABAA ligands. It can also be used to synthesize oxazolidinedione-arylpyridinones as EP3 receptor antagonists.