4H-Cyclopenta(2,1-b:3,4-b')dithiophene
4H-Cyclopenta[2,1-b:3,4-b']dithiophene · 4H-cyclopenta[1,2-b:5,4-b']dithiophene · DTCPP · S1371 · (389-58-2) · 3,4-b']dithiophene · 4H-Cyclopenta[2,1-b · Cyclopentylthiophene
Identifikatoren & physikalische Daten
| CAS No. | 389-58-2 |
|---|---|
| Summenformel | C9H6S2 |
| Durchschnittliche Molmasse | 178,3 g/mol |
| Monoisotopische Masse | 177,99109254 g/mol |
| SMILES | c1cc2c(s1)-c1sccc1C2 |
| InChIKey | UITASDKJJNYORO-UHFFFAOYSA-N |
| PubChem CID | 136232 |
| EC No. | 875-138-5 |
| DTXSID | DTXSID90192145 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 56,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 151 |
| SpringerMaterials Properties | Crystal structure |
| Schmelzpunkt | 71.0 to 75.0 °C |
| Siedepunkt | 307.8±22.0 °C(Predicted) |
| Dichte | 1.400 |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | soluble in Toluene |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Dark green |
| InChI | InChI=1S/C9H6S2/c1-3-10-8-6(1)5-7-2-4-11-9(7)8/h1-4H,5H2 |
| InChIKey | UITASDKJJNYORO-UHFFFAOYSA-N |
| SMILES | C12C3SC=CC=3CC=1C=CS2 |
| CAS Datenbank | 389-58-2 |
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. |
|---|---|
| Zollcode | 2934.99.4400 |
Anwendungen & Verwendung
Beschreibung
4H-cyclopenta[2,1-b:3,4-b′]dithiophene, also known as CPDT, a rigid coplanar structure favouring ππ intermolecular interactions with good electron-donating properties, has been one of the most attractive building blocks for organic field effect transistors and organic electronics. The five-member ring in the middle also offer the function to have side-chain manipulation to enhance solubility in solutions for device fabrications, morphology and polymer processing. One of the intensively studied polymer for organic electrons, PCPDTBT, with the alternating CPDT and 2,1,3- benzothiadiazole (BT) units, has demonstrated device performance of PCE over 6% [5]
Verwenden
4H-Cyclopenta[2,1-b:3,4-b'']dithiophene is useful in the synthesis of donor-acceptor copolymers.