HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Nitro-1,2-dihydroquinolin-2-one
5-nitroquinolin-2(1H)-one · NSC 53940 · 5-Nitrocarbostyril · 5-nitro-1H-quinolin-2-one · 2(1H)-Quinolinone, 5-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 6938-27-8 |
|---|---|
| Summenformel | C9H6N2O3 |
| Durchschnittliche Molmasse | 190,16 g/mol |
| Monoisotopische Masse | 190,03784205 g/mol |
| SMILES | O=c1ccc2c([N+](=O)[O-])cccc2[nH]1 |
| InChIKey | NRZABPOFVNBWMI-UHFFFAOYSA-N |
| PubChem CID | 243776 |
| ChEMBL | CHEMBL2042584 |
| EC No. | 832-522-7 |
| DTXSID | DTXSID70288050 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 295 |
| Schmelzpunkt | 245-247℃ |
| Siedepunkt | 422.1±45.0 °C(Predicted) |
| Dichte | 1.419 |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Löslichkeit | Methanol, Ethyl Acetate |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.54±0.70(Predicted) |
| Farbe | Yellow |
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2933499090 |
Anwendungen & Verwendung
Verwenden
5-Nitro-1H-quinolin-2-one is used in the synthetic preparation of novel antileishmanial agents for Leishmania donovani promastigotes.