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1,2,3,4-Tetrahydrocarbazol
2,3,4,9-TETRAHYDRO-1H-CARBAZOLE · Tetrahydrocarbazole · 1H-Carbazole, 2,3,4,9-tetrahydro- · AKOS B029742 · AURORA 15341 · AKOS BBS-00002900 · IFLAB-BB F1918-0039 · TIMTEC-BB SBB003845
Identifikatoren & physikalische Daten
| CAS No. | 942-01-8 |
|---|---|
| Summenformel | C12H13N |
| Durchschnittliche Molmasse | 171,24 g/mol |
| Monoisotopische Masse | 171,10479942 g/mol |
| SMILES | c1ccc2c3c([nH]c2c1)CCCC3 |
| InChIKey | XKLNOVWDVMWTOB-UHFFFAOYSA-N |
| PubChem CID | 13664 |
| ChEMBL | CHEMBL1911317 |
| EC No. | 213-385-7 |
| DTXSID | DTXSID00240969 |
| Lokaler Name | 1,2,3,4-Tetrahydrocarbazol |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 190 |
| Polymers | Nitrogen Compounds -> Amines, Polyaromatic |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| LogP (Verteilungskoeffizient) | 3.0 |
| Physical Description | White or cream crystalline powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 118-120 °C (lit.) |
| Siedepunkt | 325-330 °C (lit.) |
| Dichte | 1.1459 (rough estimate) |
| Brechungsindex | 1.6544 (estimate) |
| Flammpunkt | 325-330°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 17.84±0.20(Predicted) |
| Farbe | White to Orange to Green |
| Löslichkeit | Insoluble in water. Solubility in methanol (almost transparency). |
| BRN | 133771 |
| InChI | 1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2 |
| InChIKey | XKLNOVWDVMWTOB-UHFFFAOYSA-N |
| SMILES | C1CCc2c(C1)[nH]c3ccccc23 |
| CAS Datenbank | 942-01-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-Carbazole, 2,3,4,9-tetrahydro-(942-01-8) |
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 74 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Carbazole. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29339900 |
| RTECS-Nr. | FE6300000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Tetrahydrocarbazol bildet farblose, wasserunlösliche Kristalle. Die Substanz besitzt nur wissenschaftliches Interesse.
Verwenden
1,2,3,4-Tetrahydrocarbazole can be used as a starting material to prepare: Spiro[cyclopentane-1,2′-indolin-3′-one] by photooxygenation. 9-Acyl-1,2,3,4-tetrahydrocarbazoles by N-acylation reactions. Carbazole via palladium-catalyzed asymmetric hydrogenation reaction.