HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chloro-3,7-dimethylquinoline
AKOS A0602-0401 · OTAVA-BB 7118560785 · 2-chloro-3,7-dimethylquinoline · Quinoline, 2-chloro-3,7-dimethyl-
Identifikatoren & physikalische Daten
| CAS No. | 73863-46-4 |
|---|---|
| Summenformel | C11H10ClN |
| Durchschnittliche Molmasse | 191,65 g/mol |
| Monoisotopische Masse | 191,050177 g/mol |
| SMILES | Cc1ccc2cc(C)c(Cl)nc2c1 |
| InChIKey | VRCFMOSCDFQGJA-UHFFFAOYSA-N |
| PubChem CID | 848552 |
| EC No. | 804-018-7 |
| DTXSID | DTXSID60357249 |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 183 |
| Schmelzpunkt | 94-95 °C |
| Siedepunkt | 305.2±37.0 °C(Predicted) |
| Dichte | 1.188±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 0.99±0.50(Predicted) |
| Aggregatzustand | crystalline powder |
| Farbe | Off white to beige |
| InChI | 1S/C11H10ClN/c1-7-3-4-9-6-8(2)11(12)13-10(9)5-7/h3-6H,1-2H3 |
| InChIKey | VRCFMOSCDFQGJA-UHFFFAOYSA-N |
| SMILES | Cc1ccc2cc(C)c(Cl)nc2c1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933499090 |
| R-Sätze (R) | 22-41 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
Anwendungen & Verwendung
Verwenden
2-chloro-3,7-dimethylquinoline is a useful reactant for the synthesis of 2-(1H-1,2,4-triazol-1-yl)quinolines.