Description

1,3-Bis(2-ethylhexyl)-5,7-di(thiophen-2-yl)benzo[1,2-c:4,5-c’]dithiophene-4,8-dione (CAS No. 1415929-77-9) is a high-purity organic compound with the molecular formula C₃₄H₄₀O₂S₄. This advanced conjugated molecule features a benzo[1,2-c:4,5-c’]dithiophene-4,8-dione core functionalized with 2-ethylhexyl side chains and thiophene units, making it an excellent candidate for organic electronic applications. Its extended π-conjugation and electron-deficient dione structure contribute to unique optoelectronic properties. This compound is particularly valuable for researchers developing organic photovoltaics (OPVs), organic field-effect transistors (OFETs), and dye-sensitized solar cells (DSSCs). Supplied as a stable solid with ≥95% purity (HPLC), it is rigorously characterized by 1H/13C NMR, HPLC, and mass spectrometry to ensure batch-to-batch consistency. Store under inert atmosphere at -20°C for long-term stability.

Properties

• CAS Number: 1415929-77-9
• Complexity: 784
• IUPAC Name: 5,7-bis(2-ethylhexyl)-1,3-bis(2-thienyl)thieno[3,4-f][2]benzothiole-4,8-dione
• InChI: InChI=1S/C34H40O2S4/c1-5-9-13-21(7-3)19-25-27-28(26(39-25)20-22(8-4)14-10-6-2)32(36)30-29(31(27)35)33(23-15-11-17-37-23)40-34(30)24-16-12-18-38-24/h11-12,15-18,21-22H,5-10,13-14,19-20H2,1-4H3
• InChI Key: CHHDMAXVJHPGNT-UHFFFAOYSA-N
• Exact Mass: 608.19111521
• Molecular Formula: C34H40O2S4
• Molecular Weight: 608.9
• SMILES: CCCCC(CC)CC1=C2C(=C(S1)CC(CC)CCCC)C(=O)C3=C(SC(=C3C2=O)C4=CC=CS4)C5=CC=CS5
• Topological: 147
• Monoisotopic Mass: 608.19111521
• Synonyms: 1415929-77-9, 1,3-Bis(2-ethylhexyl)-5,7-di(thiophen-2-yl)benzo[1,2-c:4,5-c’]dithiophene-4,8-dione, 5,7-bis(2-ethylhexyl)-1,3-dithiophen-2-ylthieno[3,4-f][2]benzothiole-4,8-dione, 1,3-Bis(2-ethylhexyl)-5,7-di-2-thienyl-4H,8H-benzo[1,2-c:4,5-c’]dithiophene-4,8-dione, SCHEMBL24027402, MFCD32856106, BS-45365, CS-0161851, D80991, 1,3-bis(thiophen-2-yl)-5,7-bis(2-ethylhexyl)benzo-[1,2-c:4,5-c’]dithiophene-4,8-dione

Application

This compound serves as a key building block for organic semiconductors, particularly in the design of electron-accepting materials for bulk heterojunction solar cells. Its rigid fused-ring system enhances charge transport properties, while the 2-ethylhexyl groups improve solubility for solution processing. Researchers utilize it as an n-type component in polymer solar cells to achieve efficient charge separation. The thiophene substituents enable fine-tuning of HOMO/LUMO levels through molecular engineering. Recent studies have demonstrated its potential in creating low-bandgap materials for near-infrared photodetection applications.

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