(Benzo(1,2-b:4,5-b)dithiophene-4,8-dione)
BDTO · NAIL · thieno[2,3-f][1]benzothiole-4,8-dione · Nmrk · Ly-90 · SLAMF4 · NSC 149690 · 4,5-b']dithiophene-4,8-dione
Identifikatoren & physikalische Daten
| CAS No. | 32281-36-0 |
|---|---|
| Summenformel | C10H4O2S2 |
| Durchschnittliche Molmasse | 220,3 g/mol |
| Monoisotopische Masse | 219,96527137 g/mol |
| SMILES | O=C1c2ccsc2C(=O)c2ccsc21 |
| InChIKey | SIUXRPJYVQQBAF-UHFFFAOYSA-N |
| PubChem CID | 288478 |
| ChEMBL | CHEMBL358186 |
| DTXSID | DTXSID00186030 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 90,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 272 |
| Schmelzpunkt | 260-262℃ |
| Siedepunkt | 408.0±35.0 °C(Predicted) |
| Dichte | 1.595 |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Amber to Dark green |
| InChI | InChI=1S/C10H4O2S2/c11-7-5-1-3-13-9(5)8(12)6-2-4-14-10(6)7/h1-4H |
| InChIKey | SIUXRPJYVQQBAF-UHFFFAOYSA-N |
| SMILES | C12C(=O)C3C=CSC=3C(=O)C=1C=CS2 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29349990 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Benzo[1,2-b:4,5-b’]dithiophene is a planar symmetrical molecular structure of the thiophene derivative, enabling a better π-πstacking and good electron delocalization that encourages charge transport. In recent years, it has been intensively studied for the application of OFETs and OPVs. The incorporation of a low-band-gap unit into the benzo[1,2-b:4,5-b’]dithiophene unit could potentially result in a red-shifted absorption due to its electron-rich properties. Benzo[1,2-b:4,5-b’]dithiophene can be chemically modified to fine-tune its chemical structure and electron properties (e.g. band gap), energy levels, and charge mobility of the small molecule/polymers of interest (at a molecular level).
Verwenden
suzuki reaction