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2,3,6,7-Tetrahydro-1H,5H-benzo[ij]chinolizin-8-ol
2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLIN-8-OL · 8-HJ · AKOS BBS-00000819 · TIMTEC-BB SBB006615 · 8-Hydroxyjulolidine · 8-HydroxyIulolidineHCl · 8-Hydroxyjulolidine>8-Hydroxyjulolidine,98% · 8-HYDROXYJULOLIDINE HYDROCHLORIDE
![Molekülstruktur von 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]chinolizin-8-ol](/img/chemical/170474.png)
Identifikatoren & physikalische Daten
| CAS No. | 41175-50-2 |
|---|---|
| Summenformel | C12H15NO |
| Durchschnittliche Molmasse | 189,25 g/mol |
| Monoisotopische Masse | 189,1153641 g/mol |
| SMILES | Oc1ccc2c3c1CCCN3CCC2 |
| InChIKey | FOFUWJNBAQJABO-UHFFFAOYSA-N |
| PubChem CID | 170474 |
| EC No. | 255-247-9 |
| DTXSID | DTXSID0068286 |
| Lokaler Name | 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]chinolizin-8-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 218 |
| Schmelzpunkt | 132-134 °C(lit.) |
| Siedepunkt | 374.4±41.0 °C(Predicted) |
| Dichte | 1.22±0.1 g/cm3(Predicted) |
| Lagerbedingungen | room temp |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Soluble in water (partly), ethanol, chloroform, methanol, and acetone. |
| pKa (Säurekonstante) | 11.25±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Pink |
| BRN | 1530423 |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChI | InChI=1S/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2 |
| InChIKey | FOFUWJNBAQJABO-UHFFFAOYSA-N |
| SMILES | C12=CC=C(O)C3=C1N(CCC3)CCC2 |
| CAS Datenbank | 41175-50-2(CAS DataBase Reference) |
| EPA chemische Informationen | 1H,5H-Benzo[ij]quinolizin-8-ol, 2,3,6,7-tetrahydro- (41175-50-2) |
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1H,5H-Benzo[ij]quinolizin-8-ol, 2,3,6,7-tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933 99 80 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
8-Hydroxyjulolidine is used as an intermediate in the preparation of aminocoumarins via microwave-accelerated Pechmann reaction. It is also employed as a starting material for coumarin C-ribosides.