HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlor-7-(trifluormethyl)chinolin
BUTTPARK 15\09-27 · 4-Chloro-7-(trifluoroMethyl)quin · 4-CHLORO-7-(TRIFLUOROMETHYL)QUINOLINE · Quinoline, 4-chloro-7-(trifluoromethyl)- · 4-Chloro-7-(trifluoromethyl)quinoline 98% · 4-CHLORO-7-(TRIFLUOROMETHYL)QUINOLINE, 9 8% · 4-Chloro-7-(trifluoromethyl)quinoline ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 346-55-4 |
|---|---|
| Summenformel | C10H5ClF3N |
| Durchschnittliche Molmasse | 231,6 g/mol |
| Monoisotopische Masse | 231,0062615 g/mol |
| SMILES | FC(F)(F)c1ccc2c(Cl)ccnc2c1 |
| InChIKey | LLRQVSZVVAKRJA-UHFFFAOYSA-N |
| PubChem CID | 67668 |
| ChEMBL | CHEMBL567057 |
| EC No. | 206-471-0 |
| DTXSID | DTXSID00188170 |
| Lokaler Name | 4-Chlor-7-(trifluormethyl)chinolin |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 231 |
| Schmelzpunkt | 69-71 °C(lit.) |
| Siedepunkt | 265.5±35.0 °C(Predicted) |
| Dichte | 1.4120 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | chloroform: soluble25mg/mL, clear, colorless |
| pKa (Säurekonstante) | 1.18±0.27(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Light Beige to Beige |
| InChI | 1S/C10H5ClF3N/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-5H |
| InChIKey | LLRQVSZVVAKRJA-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccc2c(Cl)ccnc2c1 |
| CAS Datenbank | 346-55-4(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Chloro-7-(trifluoromethyl)quinoline(346-55-4) |
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 43 reports by companies from 6 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 | 2933499090 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39-24/25 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Chloro-7-(trifluoromethyl)quinoline is a reagent in the preparation of piperazinylquinolines as breast cancer inhibitors.