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Product Code M2255A1-100mg
Price $500 ex. VAT

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BTR has a backbone consisting of a benzodithiophene (BDT) unit in conjugation with two terthiophenes and two rhodanine periphera end groups forming a coplanar structure. In combination with the additional hexyl group on the thienyl-BDT unit, the side chains provide BTR with strong intermolecular interactions showing nematic liquid crystal behaviour.

BTR shows an excellent solubility of 211 mg/ml in chloroform.

Multi-functional molecule

Multi-functional molecule

Nematic liquid crystal behaviour

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Excellent solubility 2041283-06-9

Excellent solubility

Solubility of 211 mg/ml in chloroform

Highly crystalline molecule BTR

Highly crystalline molecule

Low-lying molecular energy levels.

General Information

Full name 5,5'- [[4,8-bis[5-(2-ethylhexyl)-4-hexyl-2-thienyl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis[(3',3''-dihexyl[2,2':5',2''-terthiophene]-5'',5-diyl)methylidyne ]]bis[3-hexyl-2-thioxo-4-thiazolidinone]
Purity 98% (1H NMR)
Synonyms BTR
Chemical formula C114H152N2O2S14
Molecular weight 2031.41 g/mol
CAS number 2041283-06-9
HOMO / LUMO HOMO = -5.34 eV LUMO = -3.52 eV [1]
Melting point (DSC) TGA: 405 °C (0.5% weight loss), 175°C (Tg)
Solubility/processing solvents Chloroform, chlorobenzene
Classification / Family Benzodithiophene (BDT) derivatives, Heterocyclic five-membered ring, Organic semiconducting materials, Organic Photovoltaics, Small molecule donor, SM-OPVs

Chemical Structure

Chemical structure of BTR, CAS 2041283-06-9
Chemical structure of BTR, CAS 2041283-06-9

MSDS Documentation

BTR MSDSBTR MSDS sheet

Pricing

Batch Quantity Price
M2255A1 100 mg £400
M2255A1 250 mg £800
M2255A1 500 mg £1450
M2255A1 1 g £2600
M2255A1 5 - 10 g* Please enquire

*For order quantities of 5 - 10 grams, the lead time is 4-6 weeks.

Literature and Reviews

  1. A molecular nematic liquid crystalline materialfor high-performance organic photovoltaics, K. Sun et al., Nat. Commun., 6:6013 (2014); DOI: 10.1038/ncomms7013.
  2. Liquid crystal material as the third component for ternary polymer solar cells with efficiency of 10.83% and enhanced stability, X. Ma et al., J. Mater. Chem. A, 5, 13145-13153 (2017); DOI: 10.1039/C7TA03472E.
  3. Nematic liquid crystal materials as a morphology regulator for ternary small molecule solar cells with power conversion efficiency exceeding 10%, M. Zhang et al., J. Mater. Chem. A, 5, 3589–3598 (2017); DOI: 10.1039/c7ta00211d.

To the best of our knowledge the information provided here is accurate. The values provided are typical at the time of manufacture and may vary over time and from batch to batch. Products may have minor cosmetic differences (e.g. to the branding) compared to the photos on our website. All products are for laboratory and research and development use only.

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