HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2(1H)-Quinoxalinone, 3,4-dihydro-
3,4-dihydroquinoxalin-2(1H)-one · NSC 73534 · ST5182474 · LUMAT-001 · EU-0033356 · AURORA 6866 · BAS 04379838 · AKOS BC-1152
Identifikatoren & physikalische Daten
| CAS No. | 59564-59-9 |
|---|---|
| Summenformel | C8H8N2O |
| Durchschnittliche Molmasse | 148,16 g/mol |
| Monoisotopische Masse | 148,06366288 g/mol |
| SMILES | O=C1CNc2ccccc2N1 |
| InChIKey | HYTIPJFUWHYQON-UHFFFAOYSA-N |
| PubChem CID | 185949 |
| ChEMBL | CHEMBL4583027 |
| EC No. | 664-213-6 |
| DTXSID | DTXSID50208236 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 169 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 140-143℃ |
| Siedepunkt | 370.5±31.0 °C(Predicted) |
| Dichte | 1.186±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 13.24±0.20(Predicted) |
| InChI | InChI=1S/C8H8N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2,(H,10,11) |
| InChIKey | HYTIPJFUWHYQON-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)NCC1=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Zollcode | 2933998090 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
3,4-Dihydro-1H-quinoxalin-2-one is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.