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1,2,3,4-Tetrahydrochinolin
Tetrahydroquinoline · 200g · Kusol · 200G/1KG/5KG · 1-AZATETRALIN · AURORA KA-684 · AKOS BBS-00003596 · 1,2,3,4-Tetrahydroqu
Identifikatoren & physikalische Daten
| CAS No. | 635-46-1 |
|---|---|
| Summenformel | C9H11N |
| Durchschnittliche Molmasse | 133,19 g/mol |
| Monoisotopische Masse | 133,08914935 g/mol |
| SMILES | c1ccc2c(c1)CCCN2 |
| InChIKey | LBUJPTNKIBCYBY-UHFFFAOYSA-N |
| PubChem CID | 69460 |
| ChEMBL | CHEMBL303611 |
| ChEBI | CHEBI:213323 |
| EC No. | 211-237-6 |
| DTXSID | DTXSID8060903 |
| Lokaler Name | 1,2,3,4-Tetrahydrochinolin |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 111 |
| Stoffklassen | Nitrogen Compounds -> Quinolines |
| SpringerMaterials Properties | Chemical shift |
| Dampfdruck | 0.04 [mmHg] |
| Physical Description | Yellow liquid[MSDSonline] |
| Schmelzpunkt | 9-14 °C (lit.) |
| Siedepunkt | 113-117 °C/10 mmHg (lit.) 249 °C (lit.) |
| Dichte | 1.061 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.593(lit.) |
| Flammpunkt | 213 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 5.09±0.20(Predicted) |
| Farbe | Clear pale yellow to yellow |
| pH | 10-11 (111g/l, H2O, 20℃)(as an emulsion) |
| Geruch | at 1.00 % in dipropylene glycol. honey civet animal phenolic |
| Geruchsart | animal |
| Biologische Quelle | synthetic |
| Löslichkeit | <1 g/L (20 ºC) |
| BRN | 116149 |
| InChI | 1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2 |
| InChIKey | LBUJPTNKIBCYBY-UHFFFAOYSA-N |
| SMILES | C1CNc2ccccc2C1 |
| LogP (Verteilungskoeffizient) | 2.290 |
| CAS Datenbank | 635-46-1(CAS DataBase Reference) |
| NIST chemische Informationen | Quinoline, 1,2,3,4-tetrahydro-(635-46-1) |
| EPA chemische Informationen | 1,2,3,4-Tetrahydroquinoline (635-46-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 13.4% (11 of 82) of reports.WarningH315 (76.8%): 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 82 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Quinoline, 1,2,3,4-tetrahydro-Status: Active Update: 19-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27183Quinoline, 1,2,3,4-tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and respiratory tract irritantMay be absorbed through the skin[MSDSonline] May be toxic to the CNS, cornea, retina, and optic nerveMay be absorbed by skin contactQuinoline causes liver injury and liver cancer in animal experimentsSee Quinoline. |
| Hazard Classes and Categories | Skin Irrit. 2 (76.8%) |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29334990 |
| R-Sätze (R) | 36/37/38-45 |
| Gefahrensymbole | Xi,T |
| Sicherheitshinweise (S) | 26-36/37-36-45-53 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 OralAquatic Chronic 3 |
Anwendungen & Verwendung
Verwenden
1,2,3,4-Tetrahydroquinoline is a reagent used in the synthesis of N-substituted benzoyl-1,2,3,4-tetrahydroquinolyl-1-carboxamides displaying fungicidal activity.