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Ethyl-2-pyridylacetat
ETHYL 2-PYRIDYLACETATE · ETHYL 2-PYRIDINEACETATE · 2-Pyridyl ethyl acetate · ETHYL PYRIDINE-2-ACETATE · Ethyl2-Pyridylacetate>Ethyl2-pyridylacetate,98% · Ethyl 2-pyridylacetate 98% · ETHYL 2-PYRIDIN-2-YLACETATE · Ethyl (pyridin-2-yl)acetate
Identifikatoren & physikalische Daten
| CAS No. | 2739-98-2 |
|---|---|
| Summenformel | C9H11NO2 |
| Durchschnittliche Molmasse | 165,19 g/mol |
| Monoisotopische Masse | 165,07897859 g/mol |
| SMILES | CCOC(=O)Cc1ccccn1 |
| InChIKey | IUDKTVXSXWAKJO-UHFFFAOYSA-N |
| PubChem CID | 75960 |
| EC No. | 220-365-1 |
| DTXSID | DTXSID90181817 |
| Lokaler Name | Ethyl-2-pyridylacetat |
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 | 147 |
| Schmelzpunkt | 136-137 °C |
| Siedepunkt | 70 °C/0.05 mmHg (lit.) |
| Dichte | 1.084 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.497(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | soluble in DCM, MethanolSoluble in water. |
| pKa (Säurekonstante) | 4.45±0.12(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow |
| BRN | 123817 |
| InChI | InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3 |
| InChIKey | IUDKTVXSXWAKJO-UHFFFAOYSA-N |
| SMILES | C1(CC(OCC)=O)=NC=CC=C1 |
| CAS Datenbank | 2739-98-2(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 44 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 | 29333999 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Ethyl 2-pyridineacetate is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.