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Chinolin-4-carbaldehyd
QUINOLINE-4-CARBALDEHYDE · 4-FORMYLQUINOLINE · 4-fomylquinoline · CINCHONINALDEHYDE · AKOS BBS-00005334 · 4-Quinolinealdehyde · TIMTEC-BB SBB004008 · RARECHEM AQ NN 0218
Identifikatoren & physikalische Daten
| CAS No. | 4363-93-3 |
|---|---|
| Summenformel | C10H7NO |
| Durchschnittliche Molmasse | 157,17 g/mol |
| Monoisotopische Masse | 157,05276384 g/mol |
| SMILES | O=Cc1ccnc2ccccc12 |
| InChIKey | MGCGJBXTNWUHQE-UHFFFAOYSA-N |
| PubChem CID | 78072 |
| ChEMBL | CHEMBL1887130 |
| EC No. | 224-453-0 |
| DTXSID | DTXSID50195899 |
| Lokaler Name | Chinolin-4-carbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 30 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 169 |
| Schmelzpunkt | 45-52 °C (lit.) |
| Siedepunkt | 131-133°C 5mm |
| Dichte | 1.1599 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 2.95±0.13(Predicted) |
| Aggregatzustand | Crystalline Powder, Chunks, or Solid |
| Farbe | Off-white to yellow-brown |
| Löslichkeit | Slightly soluble in water. |
| BRN | 113072 |
| InChI | InChI=1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H |
| InChIKey | MGCGJBXTNWUHQE-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=CC=2)C(C=O)=CC=1 |
| CAS Datenbank | 4363-93-3(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 46 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%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29334900 |
| R-Sätze (R) | 37/38-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36-26-36/37/39 |
| Gefahrenklasse | IRRITANTSkin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Quinolinecarboxaldehyde was used in the synthesis of lepidylamines. It also shows antimicrobial activity toward human intestinal bacteria such as Clostridium perfringens.