벤조[1,2-b:4,5-b']디티오펜-4,8-디온
벤조[1,2-b:4,5-b']디티오펜-4,8-디온 · BDTO · NAIL · thieno[2,3-f][1]benzothiole-4,8-dione · Nmrk · Ly-90 · SLAMF4 · NSC 149690
![벤조[1,2-b:4,5-b']디티오펜-4,8-디온 분자 구조식](/img/chemical/288478.png)
식별자 및 물리적 특성
| CAS No. | 32281-36-0 |
|---|---|
| 분자식 | C10H4O2S2 |
| 평균 분자량 | 220.3 g/mol |
| 단동위원소 질량 | 219.96527137 g/mol |
| SMILES | O=C1c2ccsc2C(=O)c2ccsc21 |
| InChIKey | SIUXRPJYVQQBAF-UHFFFAOYSA-N |
| PubChem CID | 288478 |
| ChEMBL | CHEMBL358186 |
| DTXSID | DTXSID00186030 |
| 현지명 | 벤조[1,2-b:4,5-b']디티오펜-4,8-디온 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 90.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 272 |
| 녹는점 | 260-262℃ |
| 끓는 점 | 408.0±35.0 °C(Predicted) |
| 밀도 | 1.595 |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | powder to crystal |
| 색상 | 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 |
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| 관세 코드 | 29349990 |
| 안전 문구(S) | 24/25 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
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).
용도
suzuki reaction
일반 설명
Benzo[1,2-b:4,5-b′]dithiophene-4,8-dione (BDTD) is a conductive polymer with a symmetric and planar conjugated structure which has a hole mobility of 0.25 cm2V-1s-1.