HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chloro-6-nitroquinoline
NSC 146766 · 4-CHLORO-6-NITROQUINOLINE · 6-Nitro-4-chloroquinoline · Quinoline, 4-chloro-6-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 13675-94-0 |
|---|---|
| Summenformel | C9H5ClN2O2 |
| Durchschnittliche Molmasse | 208,6 g/mol |
| Monoisotopische Masse | 208,00395508 g/mol |
| SMILES | O=[N+]([O-])c1ccc2nccc(Cl)c2c1 |
| InChIKey | FLKFKUSJAFUYDU-UHFFFAOYSA-N |
| PubChem CID | 287210 |
| EC No. | 837-643-9 |
| DTXSID | DTXSID10301853 |
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 | 14 |
| Formalladung | 0 |
| Komplexität | 231 |
| Schmelzpunkt | 142.5 °C |
| Siedepunkt | 351.4±22.0 °C(Predicted) |
| Dichte | 1.484 |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 1.82±0.16(Predicted) |
| InChI | InChI=1S/C9H5ClN2O2/c10-8-3-4-11-9-2-1-6(12(13)14)5-7(8)9/h1-5H |
| InChIKey | FLKFKUSJAFUYDU-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC([N+]([O-])=O)=CC=2)C(Cl)=CC=1 |
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2933499090 |
Anwendungen & Verwendung
Verwenden
4-Chloro-6-nitroquinoline is used as a reactant in the preparation of arylaminoquinoline derivatives as potent inhibitors of epidermal growth factor receptor.