HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chloro-8-methylquinoline-3-carboxaldehyde
AKOS AU36-M571 · ASISCHEM D48938 · TIMTEC-BB SBB000448 · IFLAB-BB F0805-0001 · 2-CHLORO-8-METHYLQUINOLINE-3-CAR · 2-Chloro-3-formyl-8-methylquinoline · 2-CHLORO-8-METHYLQUINOLINE-3-CARBOXALDE · 2-CHLORO-8-METHYL-QUINOLINE-3-CARBALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 73568-26-0 |
|---|---|
| Summenformel | C11H8ClNO |
| Durchschnittliche Molmasse | 205,64 g/mol |
| Monoisotopische Masse | 205,02944156 g/mol |
| SMILES | Cc1cccc2cc(C=O)c(Cl)nc12 |
| InChIKey | YPBRSXNRWFUUOE-UHFFFAOYSA-N |
| PubChem CID | 689082 |
| ChEMBL | CHEMBL4436994 |
| EC No. | 626-711-1 |
| DTXSID | DTXSID90351038 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 30 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 221 |
| Schmelzpunkt | 138-141 °C (lit.) |
| Siedepunkt | 350.8±37.0 °C(Predicted) |
| Dichte | 1.312±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | -1.29±0.50(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Yellow to yellow-brown |
| InChI | 1S/C11H8ClNO/c1-7-3-2-4-8-5-9(6-14)11(12)13-10(7)8/h2-6H,1H3 |
| InChIKey | YPBRSXNRWFUUOE-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1cc2cccc(C)c2nc1Cl |
| CAS Datenbank | 73568-26-0(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 41 reports by companies from 4 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 | 29334990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Chloro-8-methylquinoline-3-carboxaldehyde acts as a reagent in the synthesis of 2-Azetidinones from 2-chloro-8-Me-3-quinolinecarbaldehyde as potential antimicrobial agents, preparation and antibacterial activity of thiazoloquinoline Schiff bases as potential antibacterial agents.