HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-α-oxothiophen-2-acetat
ETHYL 2-OXO-2-(2-THIENYL)ACETATE · Aclidinium Impurity 8 · ETHYL 2-THENOYLFORMATE · Ethyl 2-Thiopheneglyoxylate · ETHYL THIOPHENE-2-GLYOXYLATE · Ethyl-oxo-2-thiopheneacetate · Ethyl 2-oxo-2-(thiophen-2-yl) · Aclidinium bromide Impurity 8
Identifikatoren & physikalische Daten
| CAS No. | 4075-58-5 |
|---|---|
| Summenformel | C8H8O3S |
| Durchschnittliche Molmasse | 184,21 g/mol |
| Monoisotopische Masse | 184,01941512 g/mol |
| SMILES | CCOC(=O)C(=O)c1cccs1 |
| InChIKey | GHOVLEQTRNXASK-UHFFFAOYSA-N |
| PubChem CID | 77693 |
| EC No. | 223-793-7 |
| DTXSID | DTXSID30193732 |
| Lokaler Name | Ethyl-α-oxothiophen-2-acetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 191 |
| LogP (Verteilungskoeffizient) | 1.77 |
| Siedepunkt | 102-110 °C (0.8 mmHg) |
| Dichte | 1.25 |
| Brechungsindex | 1.543-1.549 |
| Flammpunkt | >110°C |
| Lagerbedingungen | 2-8°C(protect from light) |
| Löslichkeit | Difficult to mix. |
| Aggregatzustand | Oil |
| Farbe | Light Brown to Brown |
| BRN | 5651 |
| CAS Datenbank | 4075-58-5(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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 37/39-26-36 |
Anwendungen & Verwendung
Verwenden
Ethyl thiophene-2-glyoxylate is used for drug discovery using chemic informatics-based design and it is used as a catalyst, synthesis of raw material.