HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Chinolylmethylether
NSC 1954 · P-QUINANISOLE · 6-quinanisole · 6-methoxy-quinolin · 6-METHOXYQUINOLINE · TIMTEC-BB SBB008352 · Methoxyquinoline,95% · 6-Methoxyquinoline6-
Identifikatoren & physikalische Daten
| CAS No. | 5263-87-6 |
|---|---|
| Summenformel | C10H9NO |
| Durchschnittliche Molmasse | 159,18 g/mol |
| Monoisotopische Masse | 159,06841391 g/mol |
| SMILES | COc1ccc2ncccc2c1 |
| InChIKey | HFDLDPJYCIEXJP-UHFFFAOYSA-N |
| PubChem CID | 14860 |
| ChEMBL | CHEMBL15200 |
| ChEBI | CHEBI:72822 |
| EC No. | 226-077-2 |
| DTXSID | DTXSID9063746 |
| Lokaler Name | 6-Chinolylmethylether |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 22,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 149 |
| Stoffklassen | Nitrogen Compounds -> Quinolines |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 2.2 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.151-1.154 (20º)1.15 g/mL at 20 °C (lit.) |
| Löslichkeit | Very slightly soluble in waterSoluble (in ethanol)soluble in Alcoholinsoluble |
| Siedepunkt | 294-296º140-146 °C/15 mmHg (lit.) |
| Dampfdruck | 0.00323 [mmHg] |
| Brechungsindex | 1.622-1.625n20/D 1.625(lit.) |
| Physical Description | Melting point = 26.5 deg C[ChemIDplus] Clear dark red liquidmp = 18-20 deg C[Sigma-Aldrich MSDS]Colourless to pale yellow liquidheavy sweet aroma |
| Schmelzpunkt | 18-20 °C (lit.) |
| FEMA | 4640 | 6-METHOXYQUINOLINE |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 5.03(at 20℃) |
| Aggregatzustand | Granular Powder |
| Farbe | White to cream |
| Geruch | heavy sweet |
| JECFA Number | 2157 |
| BRN | 115244 |
| InChI | 1S/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3 |
| InChIKey | HFDLDPJYCIEXJP-UHFFFAOYSA-N |
| SMILES | COc1ccc2ncccc2c1 |
| LogP (Verteilungskoeffizient) | 2.17 |
| CAS Datenbank | 5263-87-6(CAS DataBase Reference) |
| NIST chemische Informationen | Quinoline, 6-methoxy-(5263-87-6) |
| EPA chemische Informationen | Quinoline, 6-methoxy- (5263-87-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (20%): 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)Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See Quinoline. |
| Hazard Classes and Categories | Acute Tox. 4 (20%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29334990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-24/25-36-26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
6-Methoxyquinoline is a useful sythetic intermediate