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797243

Sigma-Aldrich

4,7-Dibromo-5,6-difluoro-2,1,3-benzothiadiazole

Synonym(s):

bb-F2BT

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About This Item

Empirical Formula (Hill Notation):
C6Br2F2N2S
CAS Number:
1295502-53-2
Molecular Weight:
329.95
UNSPSC Code:
12352103
PubChem Substance ID:
329768579

Assay

97% (HPLC)

Quality Level

100

form

fibers

mp

150-155 °C

storage temp.

2-8°C

SMILES string

FC1=C(Br)C2=NSN=C2C(Br)=C1F

InChI

1S/C6Br2F2N2S/c7-1-3(9)4(10)2(8)6-5(1)11-13-12-6

InChI key

HFUBKQHDPJZQIW-UHFFFAOYSA-N

Application

Fluorinated benzothiadiazole-based conjugated polymers for high open-circuit voltage in organic photovoltaics.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301,H315,H319,H335

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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Jonggi Kim et al.
ACS applied materials & interfaces, 6(10), 7523-7534 (2014-04-22)
The introduction of fluorine (F) atoms onto conjugated polymer backbone has verified to be an effective way to enhance the overall performance of polymer-based bulk-heterojunction (BHJ) solar cells, but the underlying working principles are not yet fully uncovered. As our
Silaindacenodithiophene-Based Low Band Gap Polymers - The Effect of Fluorine Substitution on Device Performances and Film Morphologies
Schroeder, Bob C.; Huang, Zhenggang; Ashraf, Raja Shahid; Smith, Jeremy; et al
Advances in Functional Materials, 22(8), 1663-1670 (2012)
Yong Zhang et al.
Chemical communications (Cambridge, England), 47(39), 11026-11028 (2011-09-13)
Small band-gap conjugated polymers based on monofluoro- and difluoro-substituted benzothiadiazole were developed. Highly efficient polymer solar cells (PCE as high as 5.40%) could be achieved for devices made from these polymers.

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