Description

3,4-Dihexylthiophene (CAS No. 122107-04-4) is a high-purity organic compound with the molecular formula C₁₆H₂₈S, widely utilized in advanced materials research and specialty chemical synthesis. This compound features a thiophene core symmetrically substituted with two hexyl chains at the 3- and 4-positions, offering unique electronic and solubility properties ideal for conjugated polymer systems and organic semiconductors. With a molecular weight of 252.46 g/mol, it is supplied as a clear to pale yellow liquid or low-melting solid, ensuring compatibility with solution-processing techniques. Rigorous QC protocols guarantee ≥95% purity (HPLC/GC), with trace metals ≤10 ppm, making it suitable for sensitive applications in optoelectronics and nanotechnology. Store under inert gas at 2-8°C to maintain stability.

Properties

• CAS Number: 122107-04-4
• Complexity: 149
• IUPAC Name: 3,4-dihexylthiophene
• InChI: InChI=1S/C16H28S/c1-3-5-7-9-11-15-13-17-14-16(15)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
• InChI Key: YIRIIAIZQBBXHL-UHFFFAOYSA-N
• Exact Mass: 252.19117207
• Molecular Formula: C16H28S
• Molecular Weight: 252.5
• SMILES: CCCCCCC1=CSC=C1CCCCCC
• Topological: 28.2
• Monoisotopic Mass: 252.19117207
• Synonyms: 3,4-dihexylthiophene, 122107-04-4, DTXSID50571972, DTXCID70522744, 878-466-7, Thiophene, 3,4-dihexyl-, MFCD21363048, 3,4-Dihexylthiophene, 97%, SCHEMBL2967933, SCHEMBL3096865, AKOS037645167, AS-57946, DB-261916, D4202, T70155

Application

3,4-Dihexylthiophene serves as a critical building block for conducting polymers in organic field-effect transistors (OFETs) and photovoltaic devices, where its extended conjugation enhances charge carrier mobility. The hexyl side chains improve solubility for spin-coating and inkjet printing of organic electronic thin films. Researchers also employ it as a monomer for synthesizing regioregular polythiophenes with tailored bandgaps. In material science, it functions as a precursor for liquid crystalline materials and supramolecular assemblies.

Safety and Hazards

GHS Hazard Statements

• H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P273, and P501

Hazard Classes and Categories

• Aquatic Chronic 4 (100%)

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