HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7-(Trifluormethyl)chinolin-4-thiol
7-Trifluoromethyl-4-quinolinethiol · 7-(trifluoromethyl)quinoline-4-thiol · 4-Quinolinethiol, 7-(trifluoromethyl)- · 7-(Trifluoromethyl)quinoline-4-thiol 95% · 7-Trifluoromethyl-4-quinolinethiol,tech. · 7-(trifluoromethyl)-1H-quinoline-4-thione · 7-(Trifluoromethyl)quinoline-4-thiol, tech. · 7-TRIFLUOROMETHYL-4-QUINOLINETHIOL ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 64415-07-2 |
|---|---|
| Summenformel | C10H6F3NS |
| Durchschnittliche Molmasse | 229,22 g/mol |
| Monoisotopische Masse | 229,01730485 g/mol |
| SMILES | FC(F)(F)c1ccc2c(=S)cc[nH]c2c1 |
| InChIKey | DBWDEWRMEKXOFI-UHFFFAOYSA-N |
| PubChem CID | 688041 |
| EC No. | 264-875-2 |
| DTXSID | DTXSID90982987 |
| Lokaler Name | 7-(Trifluormethyl)chinolin-4-thiol |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 298 |
| Schmelzpunkt | 222-225 °C (lit.) |
| Siedepunkt | 307.8±37.0 °C(Predicted) |
| Dichte | 1.407±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| pKa (Säurekonstante) | 0.39±0.30(Predicted) |
| Aggregatzustand | chunks |
| InChI | InChI=1S/C10H6F3NS/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15) |
| InChIKey | DBWDEWRMEKXOFI-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=C(C(F)(F)F)C=2)C(S)=CC=1 |
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 39 reports by companies from 2 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 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
7-(Trifluoromethyl)quinoline-4-thiol was used to investigate the mechanism of generation of lipid-poor particles from high-density lipoprotein induced by cholesteryl ester transfer protein.