HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chloro-8-fluoroquinoline
BUTTPARK 20\09-08 · IFLAB-BB F2108-0070 · 8-FLUORO-4-CHLOROQUINOLINE · 4-CHLORO-8-FLUOROQUINOLINE · 4-Chloro-8-fluoroquinolline · Quinoline, 4-chloro-8-fluoro-
Identifikatoren & physikalische Daten
| CAS No. | 63010-72-0 |
|---|---|
| Summenformel | C9H5ClFN |
| Durchschnittliche Molmasse | 181,59 g/mol |
| Monoisotopische Masse | 181,00945506 g/mol |
| SMILES | Fc1cccc2c(Cl)ccnc12 |
| InChIKey | NUIMKHDPMIPYFI-UHFFFAOYSA-N |
| PubChem CID | 2736587 |
| EC No. | 670-765-9 |
| DTXSID | DTXSID20371461 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 165 |
| Schmelzpunkt | 97.0 to 101.0 °C |
| Siedepunkt | 259.9±20.0 °C(Predicted) |
| Dichte | 1.366±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 0.51±0.30(Predicted) |
| Farbe | White to Light yellow |
| InChI | 1S/C9H5ClFN/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-5H |
| InChIKey | NUIMKHDPMIPYFI-UHFFFAOYSA-N |
| SMILES | Fc1c2nccc(c2ccc1)Cl |
| CAS Datenbank | 63010-72-0(CAS DataBase Reference) |
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2934999090 |
| R-Sätze (R) | 22-41 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Chloro-8-fluoroquinoline is used as an intermediate in organic synthesis.