HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 21413Erstellt: 24. Oktober 2026
3-Bromchinolin
Bromoquinoline · Quinoline, 3-bromo- · NSC 3995 · CETH-016 · 3-BromoquinoL · 3-BROMOQUINOLINE · 3-BROMOQUINLIINE · 3-bromo-quinolin
https://huagongshe.com/de/chemical/21413
Identifikatoren & physikalische Daten
| CAS No. | 5332-24-1 |
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| Summenformel | C9H6BrN |
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| Durchschnittliche Molmasse | 208,05 g/mol |
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| Monoisotopische Masse | 206,96836129 g/mol |
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| SMILES | Brc1cnc2ccccc2c1 |
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| InChIKey | ZGIKWINFUGEQEO-UHFFFAOYSA-N |
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| PubChem CID | 21413 |
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| ChEMBL | CHEMBL41490 |
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| EC No. | 226-237-1 |
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| DTXSID | DTXSID0063787 |
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| Lokaler Name | 3-Bromchinolin |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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| Polarare Oberfläche (TPSA) | 12,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 138 |
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| Stoffklassen | Nitrogen Compounds -> Quinolines |
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| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
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| LogP (Verteilungskoeffizient) | 3.06 |
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| Dampfdruck | 0.00147 [mmHg]0.196Pa at 25℃ |
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| Physical Description | Light yellow liquidmp = 13-15 deg C[Alfa Aesar MSDS] |
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| Schmelzpunkt | 13-15 °C (lit.) |
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| Siedepunkt | 274-276 °C (lit.) |
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| Dichte | 1.533 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.664(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| pKa (Säurekonstante) | 2.69(at 25℃) |
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| Aggregatzustand | Liquid |
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| Farbe | Clear colorless to yellow |
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| Löslichkeit | 103mg/L at 25℃ |
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| BRN | 112939 |
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| InChI | 1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H |
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| InChIKey | ZGIKWINFUGEQEO-UHFFFAOYSA-N |
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| SMILES | Brc1cnc2ccccc2c1 |
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| LogP (Verteilungskoeffizient) | 3.03 |
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| CAS Datenbank | 5332-24-1(CAS DataBase Reference) |
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| NIST chemische Informationen | Quinoline, 3-bromo-(5332-24-1) |
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| EPA chemische Informationen | Quinoline, 3-bromo- (5332-24-1) |
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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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Cease Manufacture Update: 22-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21074Quinoline, 3-bromo-: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Quinoline. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN2810 |
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| Zollcode | 29334900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
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