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Methyl-1,2,3,4-tetrahydro-6-chinolylether
Thallin · AKOS BB-9796 · TIMTEC-BB SBB002326 · SALOR-INT L308625-1EA · Debrisoquine Impurity 11 · 6-METHOXY-1,2,3,4-TETRAHYDROQUINOLINE · Quinoline l,2,3,4-tetrahydro-6-methoxy · Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
Identifikatoren & physikalische Daten
| CAS No. | 120-15-0 |
|---|---|
| Summenformel | C10H13NO |
| Durchschnittliche Molmasse | 163,22 g/mol |
| Monoisotopische Masse | 163,09971404 g/mol |
| SMILES | COc1ccc2c(c1)CCCN2 |
| InChIKey | FRXSZNDVFUDTIR-UHFFFAOYSA-N |
| PubChem CID | 67113 |
| EC No. | 204-374-8 |
| DTXSID | DTXSID3059505 |
| Lokaler Name | Methyl-1,2,3,4-tetrahydro-6-chinolylether |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 149 |
| Schmelzpunkt | 37-41 °C (lit.) |
| Siedepunkt | 290.31°C (rough estimate) |
| Dichte | 1.0508 (rough estimate) |
| Brechungsindex | 1.5718 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 5.95±0.20(Predicted) |
| InChI | 1S/C10H13NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3 |
| InChIKey | FRXSZNDVFUDTIR-UHFFFAOYSA-N |
| SMILES | COc1ccc2NCCCc2c1 |
| CAS Datenbank | 120-15-0(CAS DataBase Reference) |
| EPA chemische Informationen | Quinoline, 1,2,3,4-tetrahydro-6-methoxy- (120-15-0) |
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 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 | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933499090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,2,3,4-Tetrahydro-6-methoxyquinoline is used as chemical reagents, organic intermediates, fine chemicals, pharmaceutical research and development.