HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Ethoxythiophene-2-carboxylic acid
3-ethoxyThien-2-carboxylic acid · 3-Ethoxythiophene-2-carboxylic acid · 3-Ethoxy-2-Thiophenecarboxylicacid · 2-Thiophenecarboxylic acid, 3-ethoxy-
Identifikatoren & physikalische Daten
| CAS No. | 139926-23-1 |
|---|---|
| Summenformel | C7H8O3S |
| Durchschnittliche Molmasse | 172,2 g/mol |
| Monoisotopische Masse | 172,01941512 g/mol |
| SMILES | CCOc1ccsc1C(=O)O |
| InChIKey | FTKDCOINUAYGTC-UHFFFAOYSA-N |
| PubChem CID | 2777652 |
| ChEMBL | CHEMBL1706414 |
| EC No. | 681-136-3 |
| DTXSID | DTXSID90380606 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 149 |
| Schmelzpunkt | 121-123°C |
| Siedepunkt | 305.3±22.0 °C(Predicted) |
| Dichte | 1.305±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 3.68±0.10(Predicted) |
| Aggregatzustand | solid |
| Farbe | Pale brown |
| InChI | 1S/C7H8O3S/c1-2-10-5-3-4-11-6(5)7(8)9/h3-4H,2H2,1H3,(H,8,9) |
| InChIKey | FTKDCOINUAYGTC-UHFFFAOYSA-N |
| SMILES | CCOc1ccsc1C(O)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (80%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2934999090 |
| R-Sätze (R) | 36/37/38-36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
3-Ethoxythiophene-2-carboxylic acid is used as a pharmaceutical intermediate.