HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Bromchinolin
6-Bromoquinoline,97% · NSC 3996 · 6-BromoquinoL · 6-Br-quinoline · 6-bromo-quinolin · 6-BROMOQUINOLINE · 6-BROMOOQUINOLINE · TIMTEC-BB SBB001559
Identifikatoren & physikalische Daten
| CAS No. | 5332-25-2 |
|---|---|
| Summenformel | C9H6BrN |
| Durchschnittliche Molmasse | 208,05 g/mol |
| Monoisotopische Masse | 206,96836129 g/mol |
| SMILES | Brc1ccc2ncccc2c1 |
| InChIKey | IFIHYLCUKYCKRH-UHFFFAOYSA-N |
| PubChem CID | 79243 |
| ChEMBL | CHEMBL59518 |
| EC No. | 226-238-7 |
| DTXSID | DTXSID5063788 |
| Lokaler Name | 6-Bromchinolin |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 138 |
| Schmelzpunkt | 19°C |
| Siedepunkt | 116 °C / 6mmHg |
| Dichte | 1.538 g/mL at 25 °C |
| Brechungsindex | n20/D 1.663 |
| Flammpunkt | 19 °C |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Soluble in acetone, acetonitrile, dichloromethane, ethyl acetate and THF. |
| pKa (Säurekonstante) | 4.18±0.10(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Light yellow to brown |
| InChI | InChI=1S/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H |
| InChIKey | IFIHYLCUKYCKRH-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC(Br)=CC=2)C=CC=1 |
| CAS Datenbank | 5332-25-2(CAS DataBase Reference) |
| NIST chemische Informationen | 6-Bromo quinoline(5332-25-2) |
| EPA chemische Informationen | Quinoline, 6-bromo- (5332-25-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29334900 |
| R-Sätze (R) | 36/37/38-41-37/38-22-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39-39-36 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
6-Bromoquinoline is used as fine chemical and pharmaceutical intermediate, used as the coupling reagent.