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Product Code M2255A1-100mg
Price £400 ex. VAT

Excellent Solubility

Nematic liquid crystal behaviour

BTR (CAS number 2041283-06-9) 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



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.
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