HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethylpyridin-4-acetat
ETHYL 4-PYRIDYLACETATE · ethyle4-pyridylacetate · ETHYL 4-PYRIDINEACETATE · ETHYL PYRIDINE-4-ACETATE · Ethyl4-Pyridylacetate>Ethyl 4-pyridinylacetate · Ethyl4-pyridylacetate,98% · Ethyl Pyridin-4-ylacetate · Ethyl 2-(4-pyridyl)acetate
Identifikatoren & physikalische Daten
| CAS No. | 54401-85-3 |
|---|---|
| Summenformel | C9H11NO2 |
| Durchschnittliche Molmasse | 165,19 g/mol |
| Monoisotopische Masse | 165,07897859 g/mol |
| SMILES | CCOC(=O)Cc1ccncc1 |
| InChIKey | QVLJLWHOILVHJJ-UHFFFAOYSA-N |
| PubChem CID | 736321 |
| EC No. | 259-150-2 |
| DTXSID | DTXSID30202797 |
| Lokaler Name | Ethylpyridin-4-acetat |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 141 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 18-19 °C (lit.) |
| Siedepunkt | 127-128 °C/14 mmHg (lit.) |
| Dichte | 1.079 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.499(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 5.33±0.10(Predicted) |
| BRN | 123786 |
| InChI | InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3 |
| InChIKey | QVLJLWHOILVHJJ-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(CC(OCC)=O)=C1 |
| CAS Datenbank | 54401-85-3(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 45 reports by companies from 5 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 | 29333999 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Ethyl 4-Pyridylacetate shows potential ability as an anticonvulsant and also exhibits neuropathic pain-attenuating properties.