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2-Chloro-6-methoxyquinoline-3-carbaldehyde
SBB000610 · ZINC00058230 · Oprea1_431129 · Oprea1_295155 · 493996_ALDRICH · AKOS AU36-M573 · ASISCHEM T87168 · AKOS BBS-00007299
Identifikatoren & physikalische Daten
| CAS No. | 73568-29-3 |
|---|---|
| Summenformel | C11H8ClNO2 |
| Durchschnittliche Molmasse | 221,64 g/mol |
| Monoisotopische Masse | 221,0243562 g/mol |
| SMILES | COc1ccc2nc(Cl)c(C=O)cc2c1 |
| InChIKey | TZQOMBXDCIPJKW-UHFFFAOYSA-N |
| PubChem CID | 689079 |
| ChEMBL | CHEMBL4514847 |
| EC No. | 626-712-7 |
| DTXSID | DTXSID10351035 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 237 |
| Schmelzpunkt | 149-151 °C(lit.) |
| Siedepunkt | 373.9±37.0 °C(Predicted) |
| Dichte | 1.348±0.06 g/cm3(Predicted) |
| Flammpunkt | -9°(16°F) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | -1.29±0.50(Predicted) |
| Löslichkeit | Insoluble in water. |
| InChI | 1S/C11H8ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-6H,1H3 |
| InChIKey | TZQOMBXDCIPJKW-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1cc2cc(OC)ccc2nc1Cl |
| CAS Datenbank | 73568-29-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| 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
Mainly used as solvents. They are used in intermediate steps for the production of paints, plastics, synthetic resins, and dyes. They are also used in the manufacture of perfumes, solvents, and flavorings. As raw material in organic synthesis.