Benzo[1,2-b:4,5-b’]dithiophene-4,8-dione CAS#: 32281-36-0; 凯望编码 (ChemWhat Code): 387854
Identification
| 英文名 | Benzo[1,2-b:4,5-b’]dithiophene-4,8-dione |
| IUPAC Name | thieno[2,3-f][1]benzothiole-4,8-dione |
| 分子结构 |  |
| CAS编号 | 32281-36-0 |
| EINECS Number | No data available |
| MDL Number | MFCD01927240 |
| Beilstein Registry Number | No data available |
| 别名 | 4,8-dihydrobenzo[1,2-b:4,5-b’]dithiophene-4,8-dionebenzo[1,2-b:4,5-b’]dithiophene-4,8-dionebenzo[1,2-b:4,5-b′]dithiophene-4,8-dione4,8-dihydrobenzo[1,2-b:4,5-b’]dithiophen-4,8-dione4,8-dehydrobenzo[1,2-b:4,5-b’]dithiophene-4,8-dionebenzo[1,2-b:4,5-b’]dithiophene-4,8-dione4,8-dehydrobenzo[1,2-b:4,5-b′]dithiophene-4,8-dione |
| 分子式 | C10H4O2S2 |
| 分子量 | 220.260 |
| InChI | InChI=1S/C10H4O2S2/c11-7-5-1-3-13-9(5)8(12)6-2-4-14-10(6)7/h1-4H |
| InChI Key | SIUXRPJYVQQBAF-UHFFFAOYSA-N |
| Canonical SMILES | O=C1c2ccsc2C(=O)c2ccsc21 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN114369081 | Perdeuterated thiophene compound, preparation method thereof, organic intermediate and organic electroluminescent device | 2022 |
| US2015/28265 | CONJUGATED POLYMERS FOR ELECTRONIC DEVICES | 2015 |
Physical Data
| Appearance | White to light yellow green to greyish yellow green powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C |
| 258 – 260 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Spectrum | 1H | chloroform-d1 | |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 400 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands, Spectrum | potassium bromide |
| IR |
| Description (UV/VIS Spectroscopy) |
| UV/VIS |
| Description (Raman Spectroscopy) |
| Bands, Spectrum |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of Benzo[1,2-b4,5-b']dithiophene-4,8-dione CAS# 32281-36-0](https://www.chemwhat.com/wp-content/uploads/2018/01/Route-of-Synthesis-ROS-of-Benzo12-b45-bdithiophene-48-dione-CAS-32281-36-0.png)
| Conditions | Yield |
| With n-butyllithium In tetrahydrofuran at 0 – 20℃; Temperature; Inert atmosphere; | 86.1% |
| With n-butyllithium In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Cooling with ice; | 80% |
| With n-butyllithium In tetrahydrofuran at 0℃; | 80% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 220.273 |
| logP | 1.534 |
| HBA | 2 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 90.62 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Benzo[1,2-b:4,5-b′]dithiophene-4,8-dione (BDD, CAS 32281-36-0) is an electron-deficient building block widely used in organic electronic materials. It serves as a core unit in conjugated polymers for applications such as organic photovoltaics (OPVs), organic field-effect transistors (OFETs), and other optoelectronic devices. The diketone and fused dithiophene structure provide strong electron-withdrawing ability, planarity, and favorable molecular packing, enabling the development of low-bandgap polymers with enhanced charge transport and device efficiency. |
试剂采购 | |
| 没有试剂厂商? | 向凯望发送快速询价 |
| 想要被列为试剂厂商? (付费服务) | 点击这里联系凯望 |
认证生产商 | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
| 想要被列为认证生产商 (需要通过认证)? | 请下载并填写 这份表格并发邮件到approved-manufacturers@chemwhat.com |
其他供应商 | |
| Watson International Limited | 访问Watson官网 |
如需其他帮助，请联系我们 | |
| 联系我们获取其它信息或服务 | 点击这里联系凯望 |