1394931-02-2

Basic information

• Product Name: 4,8-bis((4-octylphenyl)ethynyl)benzo[1,2-b:4,5-b']dithiophene
• Synonyms: 4,8-bis((4-octylphenyl)ethynyl)benzo[1,2-b:4,5-b']dithiophene
• CAS NO: 1394931-02-2
• Molecular Weight: 614.959
• Mol File: 1394931-02-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4,8-bis((4-octylphenyl)ethynyl)benzo[1,2-b:4,5-b']dithiophene(CAS DataBase Reference)
• NIST Chemistry Reference: 4,8-bis((4-octylphenyl)ethynyl)benzo[1,2-b:4,5-b']dithiophene(1394931-02-2)
• EPA Substance Registry System: 4,8-bis((4-octylphenyl)ethynyl)benzo[1,2-b:4,5-b']dithiophene(1394931-02-2)

Safety Data

• Hazardous Substances Data: 1394931-02-2(Hazardous Substances Data)

Upstream product

• 32281-36-0 4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione 
• 1068-55-9 isopropylmagnesium chloride 
• 79887-13-1 1-ethynyl-4-octylbenzene 

Relevant articles and documents

Synthesis and photovoltaic properties of benzo[1,2-b:4,5-b′] dithiophene derivative-based polymers with deep HOMO levels

Two benzo[1,2-b:4,5-b′]dithiophene (BDT) derivatives with conjugated substituents, triisopropylsilylethynyl (TIPS) and 4-octylphenylethynyl groups, were synthesized as donor units (D) and copolymerized with two acceptor units (A), 4,7-bis(4-octylthiophen-2-yl)-2,1,3-benzothiadiazole (BT) and 4,4′-diundecyl-2,2′-bithiazole (BTZ), respectively, using Stille coupling reaction to afford four new copolymers, PTBDT-BT, PTBDT-BTZ, POPEBDT-BT, POPEBDT-BTZ. All polymers exhibited highest occupied molecular orbital (HOMO) energy levels that were deeper than -5.4 eV due to the conjugated substituents. Small band gaps were successfully achieved for PTBDT-BT (1.67 eV) and POPEBDT-BT (1.67 eV) and were attributable to the strong intramolecular charge transfer within the D-A alternating structure. The resultant photovoltaic performances showed high open-circuit voltages (Voc) ranging from 0.73 V to 0.92 V, whereas the power conversion efficiencies (PCEs) depended strongly on the blend morphologies. The polymer solar cell based on the blend of PTBDT-BT and PC71BM gave the best photovoltaic performance among the series, with a high Voc of 0.81 V and a PCE of 4.61%.