HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Chinolin-2-carbonsure
QUINOLINE-2-CARBOXYLIC ACID · 2-QUINOLINECARBOXYLIC ACID · QND · Quinaldate · 2-Quinolinecarboxylate · Quinaldic acid, 99% 10GR · QUINALDIC ACID · Quinaldin acid
Identifikatoren & physikalische Daten
| CAS No. | 93-10-7 |
|---|---|
| Summenformel | C10H7NO2 |
| Durchschnittliche Molmasse | 173,17 g/mol |
| Monoisotopische Masse | 173,04767846 g/mol |
| SMILES | O=C(O)c1ccc2ccccc2n1 |
| InChIKey | LOAUVZALPPNFOQ-UHFFFAOYSA-N |
| PubChem CID | 7124 |
| ChEMBL | CHEMBL1160559 |
| ChEBI | CHEBI:18386 |
| EC No. | 202-218-3 |
| DTXSID | DTXSID6059079 |
| Lokaler Name | Chinolin-2-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 205 |
| Stoffklassen | Nitrogen Compounds -> Quinolines |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Crystal structure |
| Löslichkeit | 14.0 mg/mL14g/lsoluble |
| Schmelzpunkt | 156 °C156-158 °C (lit.) |
| Physical Description | Off-white or yellow powder[Alfa Aesar MSDS]Solid |
| Collision Cross Section | 132 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]132.3 Ų [M+H]+ |
| Siedepunkt | 247-250 |
| Dichte | 1.2427 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Needle-Like Crystalline Powder |
| pKa (Säurekonstante) | 1.20±0.30(Predicted) |
| Farbe | Light brown |
| pH | 3.0-3.5 (10g/l, H2O, 20℃) |
| Merck | 14,8046 |
| BRN | 126322 |
| InChI | 1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) |
| InChIKey | LOAUVZALPPNFOQ-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc2ccccc2n1 |
| CAS Datenbank | 93-10-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Quinolinecarboxylic acid(93-10-7) |
| EPA chemische Informationen | 2-Quinolinecarboxylic acid (93-10-7) |
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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Quinolinecarboxylic acidQuinaldic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29334990 |
| RTECS-Nr. | UZ9100000 |
| R-Sätze (R) | 36/37/38-23/24/25 |
| Gefahrensymbole | Xi,T |
| Sicherheitshinweise (S) | 26-36-37/39-45-36/37/39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
For the determination of copper, zinc and uranium with which it forms insoluble salts.