HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Ethylrhodanin
3-Ethyl-2-thioxothiazolidin-4-one · RDS · RDN · 4-Thiazolidinone · EA492 · AKOS B029098 · 3-Ethylrodanin · 3-ethyl-rhodanin
Identifikatoren & physikalische Daten
| CAS No. | 7648-01-3 |
|---|---|
| Summenformel | C5H7NOS2 |
| Durchschnittliche Molmasse | 161,3 g/mol |
| Monoisotopische Masse | 160,99690584 g/mol |
| SMILES | CCN1C(=O)CSC1=S |
| InChIKey | UPCYEFFISUGBRW-UHFFFAOYSA-N |
| PubChem CID | 82098 |
| EC No. | 231-603-9 |
| DTXSID | DTXSID4064761 |
| Lokaler Name | 3-Ethylrhodanin |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 77,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 157 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 36-39 °C(lit.) |
| Siedepunkt | 128 °C4 mm Hg(lit.) |
| Dichte | 1.303 g/mL at 25 °C(lit.) |
| Brechungsindex | 1.5480 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 0-6°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | -1.76±0.20(Predicted) |
| Farbe | Light yellow to Yellow to Orange |
| CAS Datenbank | 7648-01-3(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Thiazolidinone, 3-ethyl-2-thioxo- (7648-01-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2934100090 |
| RTECS-Nr. | VI8092000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
3-Ethylrhodanine is a porphyrin-based small molecule used as a donor for efficient organic solar and photovoltaic cells.