HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlorchinolin
oroquinoL · 4-CHLOROQUINOLINE · Quinoline, 4-chloro- · 4-Chloroquinoline 97% · Butyraldehyde,Butanal · 4-Chloroquinoline,99% · 4-Chloroquinoline, 98%+ · 4-CHLOROQUINOLINE ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 611-35-8 |
|---|---|
| Summenformel | C9H6ClN |
| Durchschnittliche Molmasse | 163,6 g/mol |
| Monoisotopische Masse | 163,01887687 g/mol |
| SMILES | Clc1ccnc2ccccc12 |
| InChIKey | KNDOFJFSHZCKGT-UHFFFAOYSA-N |
| PubChem CID | 69140 |
| EC No. | 210-267-7 |
| DTXSID | DTXSID40209979 |
| Lokaler Name | 4-Chlorchinolin |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 138 |
| Stoffklassen | Nitrogen Compounds -> Quinolines |
| Physical Description | Melting point = 34.5 deg C[ChemIDplus] Clear dark yellow liquidmp = 28-31 deg C[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 28-31 °C (lit.) |
| Siedepunkt | 260-261 °C (lit.) |
| Dichte | 1.25 g/mL at 20 °C (lit.) |
| Brechungsindex | 1.6110 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to lump |
| pKa (Säurekonstante) | 3.57±0.13(Predicted) |
| Farbe | White to Almost white |
| Löslichkeit | Partly soluble in water. |
| BRN | 114721 |
| InChI | 1S/C9H6ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H |
| InChIKey | KNDOFJFSHZCKGT-UHFFFAOYSA-N |
| SMILES | Clc1ccnc2ccccc12 |
| CAS Datenbank | 611-35-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Chloroquinoline(611-35-8) |
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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritant[Sigma-Aldrich MSDS] See Quinoline. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Chloroquinoline is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.