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3-Hexylthiophene

3-hexylthiophene chemical structure
Product Code B301
Price $207.00 ex. VAT
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3-Hexylthiophene, for the synthesis of P3HT

High-quality and high-purity monomer available online

3-Hexylthiophene is the intermediate for the synthesis of poly(3-hexylthiophene), referred as P3HT. To date, it is the most studied polymer for polymer solar cells. The efficiency of a P3HT/PCBM solar cell is typically 4-5 %, but with new fullerene materials developed to closely match the energy levels of P3HT (HOMO 5.0 eV, LUMO 3.0 eV), device performances have been pushed to 6.5% [1].

The synthesis of P3HT is relatively easy and short, only a 3-4 step synthesis is required [2, 3, 4]. The challenge of P3HT is that it only absorbs a narrow band of solar spectrum, so it has little room for improvement in terms of performance efficiency.

P3HT synthesis
Synthesis of HT-coupled, regioregular poly(3-dodecylthiophene)

General Information

CAS Number
 1693-86-3
Chemical Formula C10H16S
Molecular Weight 168.30 g/mol
Synonyms 1-(Thien-3-yl)hexane
3-n-Hexylthiophene
Classification / Family Monomers, Building blocks, Thiophene, Heterocycles, Chemical synthesis for low band gap polymers, Intermediates for OFETs, OLED, Organic Photovoltaics, Polymer solar cells

Chemical Structure

Chemical structure of 3-Hexylthiophene, CAS 1693-86-3
Chemical structure of 3-Hexylthiophene, CAS 1693-86-3

Product Details

Purity 99%
Boiling Point 65 °C at 0.45 mmHg (lit.)
299 °C at 760 mmHg (1 atm, lit.)
Density 0.936 g/cm3
Appearance Colourless/pale yellow liquid

NMR Characterisation

1H NMR 3-hexylthiophene in CDCl3
1H NMR spectrum of 3-hexylthiophene in CDCl3: Instrument AVIIIHD400 (view full version)

MSDS Documentation

3-Hexylthiophene MSDS3-Hexylthiophene MSDS sheet

Literature and Reviews

  1. 6.5% Efficiency of Polymer Solar Cells Based on poly(3‐hexylthiophene) and Indene‐C60 Bisadduct by Device Optimization, G. Zhao et al., Adv. Mater., 22, 4355–4358 (2010).
  2. Regiocontrolled Synthesis of Poly(3-alkylthiophenes) Mediated by Rieke Zinc: Their Characterization and Solid-State Properties, Chen et. al., J. Am. Chem. Soc., 117 (1), pp 233–244 (1995).
  3. A Simple Method to Prepare Head-to-Tail Coupled, Regioregular Poly(3-alkylthiophenes) Using Grignard Metathesis., R. S. Loewe et al., Adv. Mater., 11: 250–253 (1999)
  4. Synthesis and characterisation of telechelic regioregular head-to-tail poly(3-alkylthiophenes), A. Iraqi et. al., J. Mater. Chem., 8, 25-29 (1998).
  5. Charge Transport and Photocurrent Generation in Poly(3-hexylthiophene):Methanofullerene Bulk-Heterojunction Solar Cells, D. Valentin et al, Adv. Funct. Mater., 16, 699–708 (2006).
  6. Soluble and processable regioregular poly(3‐hexylthiophene) for thin film field‐effect transistor applications with high mobility, Z. Bao et al., Appl. Phys. Lett. 69, 4108 (1996).
  7. Dependence of Regioregular Poly(3-hexylthiophene) Film Morphology and Field-Effect Mobility on Molecular Weight, R. J. Kline, Macromolecules, 38 (8), pp 3312–3319 (2005).

To the best of our knowledge the information provided here is accurate. However, Ossila assume no liability for the accuracy of this page. The values provided are typical at the time of manufacture and may vary over time and from batch to batch. All products are for laboratory and research and development use only, and may not be used for any other purpose including health care, pharmaceuticals, cosmetics, food or commercial applications.

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