HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Chinolin-6-carbonsure
QUINOLINE-6-CARBOXYLIC ACID · AKOS BBS-00005339 · TIMTEC-BB SBB003821 · IFLAB-BB F0406-3604 · Chinolin-6-carbonsure · 6-Quinolinecarboxylicaci · 6-QUINOLINECARBOXYLIC ACID · CHINOLINE-6-CARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 10349-57-2 |
|---|---|
| Summenformel | C10H7NO2 |
| Durchschnittliche Molmasse | 173,17 g/mol |
| Monoisotopische Masse | 173,04767846 g/mol |
| SMILES | O=C(O)c1ccc2ncccc2c1 |
| InChIKey | VXGYRCVTBHVXMZ-UHFFFAOYSA-N |
| PubChem CID | 82571 |
| EC No. | 233-761-4 |
| DTXSID | DTXSID7065047 |
| Lokaler Name | Chinolin-6-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 205 |
| Schmelzpunkt | 293-294 °C |
| Siedepunkt | 303.81°C (rough estimate) |
| Dichte | 1.2427 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Practically insoluble in water |
| pKa (Säurekonstante) | 3.05±0.30(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Beige to brown |
| InChI | InChI=1S/C10H7NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,(H,12,13) |
| InChIKey | VXGYRCVTBHVXMZ-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC(C(O)=O)=CC=2)C=CC=1 |
| CAS Datenbank | 10349-57-2(CAS DataBase Reference) |
| EPA chemische Informationen | 6-Quinolinecarboxylic acid (10349-57-2) |
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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29334900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
6-Quinolinecarboxylic acid is a vital compound and can be used to synthesise 6-Quinolinecarboxaldehyde, 6-(Aminomethyl)quinoline, and Quinolin-6-ylmethanol, etc.