CAS 1347736-74-6 4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole

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4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole

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Catalog Number

ACM1347736746-3

Product Name

4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole

Structure

CAS

1347736-74-6

Category

Small Molecule Semiconductor Building Blocks

Synonyms

Dibromo-FBT

IUPAC Name

4,7-dibromo-5-fluoro-2,1,3-benzothiadiazole

Molecular Weight

311.96

Molecular Formula

C6HBr2FN2S

Canonical SMILES

BrC1=C(F)C=C(Br)C2=NSN=C21

InChI

1S/C6HBr2FN2S/c7-2-1-3(9)4(8)6-5(2)10-12-11-6/h1H

InChI Key

KVZDYOVYIHJETJ-UHFFFAOYSA-N

Melting Point

158-163 °C

Purity

>98.0%(GC)

Density

Light Sensitive,Air Sensitive

Appearance

White to Orange to Green powder to crystal

Application

Monomer for synthesis of polymers for high power conversion efficiency (PCE) organic solar cells and high mobility OFETs.
Fluorination lowers the polymer HOMO level; resulting in high open-circuit voltages well exceeding 0.7 V.
High-Efficiency Polymer F-PCPDTBT:PC70BM Bulk Heterojuction Organic Solar Cells (OPVs):
JSC = 14.1 mA/cm2
VOC = 0.74 V
FF = 0.58
PCE = 6.2%

Storage

Store under inert gas

Complexity

185

Covalently-Bonded Unit Count

Exact Mass

311.81907g/mol

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Formal Charge

Hazard Statements

H302