Key Documents

901239

1,3-Bis(5-bromo-2-thienyl)-5,7-bis(2-ethylhexyl)-4H,8H-benzo[1,2-c:4,5-c′]dithiophene-4,8-dione

Name: 1,3-Bis(5-bromo-2-thienyl)-5,7-bis(2-ethylhexyl)-4H,8H-benzo[1,2-c:4,5-c′]dithiophene-4,8-dione
Brand: ALDRICH

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About This Item

Empirical Formula (Hill Notation):

C₃₄H₃₈Br₂O₂S₄

CAS Number:

1415929-78-0

Molecular Weight:

766.73

MDL number:

MFCD31631829

UNSPSC Code:

12352101

NACRES:

NA.23

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Properties

assay

≥97%

Quality Level

100

form

powder

SMILES string

[s]1c(ccc1c2[s]c(c4c2C(=O)c5c(c([s]c5CC(CCCC)CC)CC(CCCC)CC)C4=O)c3[s]c(cc3)Br)Br

InChI

1S/C34H38Br2O2S4/c1-5-9-11-19(7-3)17-23-27-28(24(39-23)18-20(8-4)12-10-6-2)32(38)30-29(31(27)37)33(21-13-15-25(35)40-21)42-34(30)22-14-16-26(36)41-22/h13-16,19-20H,5-12,17-18H2,1-4H3

InChI key

HETICFAGRUKZDA-UHFFFAOYSA-N

Description

Application

1,3-Bis(5-bromo-2-thienyl)-5,7-bis(2-ethylhexyl)-4H,8H-benzo[1,2-c:4,5-c′]dithiophene-4,8-dione (BDD), a strong electron accepting molecule, can be used in the fabrication of non-fullerene polymeric solar cells. It can also be used in the synthesis of a new conjugated polymer, 5,7-bis(2- ethylhexyl)benzo[1,2-c:4,5-c′]dithiophene-4,8-dione (PBDTBDD).

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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High-efficiency non-fullerene polymer solar cell fabricated by a simple process using new conjugated terpolymers

Hoang MH, et al.

Journal of Material Chemistry C, 7(1), 111-118 (2019)

Molecular Optimization Enables over 13% Efficiency in Organic Solar Cells.

Wenchao Zhao et al.

Journal of the American Chemical Society, 139(21), 7148-7151 (2017-05-18)

A new polymer donor (PBDB-T-SF) and a new small molecule acceptor (IT-4F) for fullerene-free organic solar cells (OSCs) were designed and synthesized. The influences of fluorination on the absorption spectra, molecular energy levels, and charge mobilities of the donor and