BTR
CAS Number 2041283-06-9
Materials, Organic Conductors, Semiconducting Molecules, Small Molecule OPV Donors
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
Nematic liquid crystal behaviour
Worldwide shipping
Quick and reliable shipping
Excellent solubility
Solubility of 211 mg/ml in chloroform
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
MSDS Documentation
BTR MSDS sheetPricing
| 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
- A molecular nematic liquid crystalline materialfor high-performance organic photovoltaics, K. Sun et al., Nat. Commun., 6:6013 (2014); DOI: 10.1038/ncomms7013.
- 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.
- 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.