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Ethyl 4,6-dichloropyridine-3-carboxylate
ethyl 4,6-dichloropyridine-3-carboxylate · Novobiocin Impurity 5 · Ethyl 4,6-dichloronitinate · Ethy14,6-dichloronicotinate · ETHYL 4,6-DICHLORONICOTINATE · Ethyl 4,6-dicholoronicotinate · Ethyl 4,6-Dichloronicotinate >2,4-Dichloro-5-carbethoxypyridine · Ethyl 4,6-dichloronicotinate ,97%
Identifikatoren & physikalische Daten
| CAS No. | 40296-46-6 |
|---|---|
| Summenformel | C8H7Cl2NO2 |
| Durchschnittliche Molmasse | 220,05 g/mol |
| Monoisotopische Masse | 218,98538382 g/mol |
| SMILES | CCOC(=O)c1cnc(Cl)cc1Cl |
| InChIKey | AAUBVINEXCCXOK-UHFFFAOYSA-N |
| PubChem CID | 600045 |
| EC No. | 803-915-0 |
| DTXSID | DTXSID40344874 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 189 |
| Schmelzpunkt | 32-34° |
| Siedepunkt | 85°C/0.01mmHg(lit.) |
| Dichte | 1.367±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in methanol. |
| pKa (Säurekonstante) | -1.24±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Yellow |
| InChI | InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3 |
| InChIKey | AAUBVINEXCCXOK-UHFFFAOYSA-N |
| SMILES | C1=NC(Cl)=CC(Cl)=C1C(OCC)=O |
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%) |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Ethyl 4,6-dichloronicotinate is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals, and dyestuffs. It is also used as a fine chemical intermediate. Ethyl-4,6-dichloronicotinate could be used as a starting material to synthesize 6-chlorothieno[3,2-c]pyridine-2-carbohydrazide-hydrazone subsidiaries[1].