HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Quinoxaline-6-carboxylic acid
QUINOXALINE-6-CARBOXYLIC ACID · B3299 · AKOS BBS-00000436 · AKOS BBS-00001971 · TIMTEC-BB SBB000185 · RARECHEM AM LA 0027 · IFLAB-BB F1716-0520 · 6-quinoxalinecarboxylate
Identifikatoren & physikalische Daten
| CAS No. | 6925-00-4 |
|---|---|
| Summenformel | C9H6N2O2 |
| Durchschnittliche Molmasse | 174,16 g/mol |
| Monoisotopische Masse | 174,04292744 g/mol |
| SMILES | O=C(O)c1ccc2nccnc2c1 |
| InChIKey | JGQDBVXRYDEWGM-UHFFFAOYSA-N |
| PubChem CID | 674813 |
| EC No. | 623-529-4 |
| DTXSID | DTXSID20350155 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 208 |
| Schmelzpunkt | 224-229 °C (dec.) |
| Siedepunkt | 355.1±27.0 °C(Predicted) |
| Dichte | 1.421±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Sonicated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.22±0.30(Predicted) |
| Farbe | Light Brown to Dark Brown |
| InChI | InChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,(H,12,13) |
| InChIKey | JGQDBVXRYDEWGM-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC(C(O)=O)=CC=2)N=CC=1 |
| CAS Datenbank | 6925-00-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2A (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | IRRITANTEye Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
6-Quinoxalinecarboxylic Acid is an intermediate used in the production of antiprotozoal agents.