HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 140109Erstellt: 27. Oktober 2026
8-Bromoquinoline
8-BromoquinoL · 8-BROMOQUIOLINE · 8-BROMOQUINOLINE · 8-BroMoquinolline · 8-bromooquinoline · RARECHEM AK ML 0146 · 8-Bromoquinoline,98% · Quinoline, 8-Bromo-
https://huagongshe.com/de/chemical/140109
Identifikatoren & physikalische Daten
| CAS No. | 16567-18-3 |
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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 | Brc1cccc2cccnc12 |
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| InChIKey | PIWNKSHCLTZKSZ-UHFFFAOYSA-N |
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| PubChem CID | 140109 |
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| EC No. | 630-629-1 |
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| DTXSID | DTXSID10168009 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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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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| Schmelzpunkt | 58-59 °C |
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| Siedepunkt | 112-113 °C/0.5 mmHg (lit.) |
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| Dichte | 1.594 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.672(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Inert atmosphere,2-8°C |
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| Aggregatzustand | Liquid After Melting |
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| pKa (Säurekonstante) | 2.33±0.17(Predicted) |
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| Wichte | 1.594 |
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| Farbe | Clear yellow to yellow-brown |
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| InChI | InChI=1S/C9H6BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H |
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| InChIKey | PIWNKSHCLTZKSZ-UHFFFAOYSA-N |
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| SMILES | N1C2C(=CC=CC=2Br)C=CC=1 |
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| CAS Datenbank | 16567-18-3(CAS DataBase Reference) |
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| NIST chemische Informationen | Quinoline, 8-bromo-(16567-18-3) |
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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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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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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| hazard_note | Irritant |
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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. 2STOT SE 3 |
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Anwendungen & Verwendung
Verwenden
8-Bromoquinoline may be used in the following studies:Synthesis of 8-(dimesitylboryl)quinolone (ambiphilic molecule).Direct synthesis of 5H-pyrido[3,2,1-ij]quinolin-3-one, via palladium catalyzed coupling reaction with acrolein.Preparation of 8-(1-hydroxyethyl)quinolone.Preparation of 8-quinolylcyclopentadienyl metal complexes, via reaction with zincated cyclopentadienyl derivatives of Fe, Mn and Re in the presence of bis(triphenylphosphine)palladium(0).Synthesis of n,n′-biquinolines by a coupling reaction using tris(triphenylphosphine)nickel(0) and a zerovalent pyridine-nickel complex.
