CAS 1347736-74-6 4,7-Dibromo-5-fluorobenzo[c][1,2,5]thiadiazole

NAVIGATION

4,7-Dibromo-5-fluorobenzo[c][1,2,5]thiadiazole

PRICE INQUIRY

Catalog Number

ACM1347736746-1

CAS Number

1347736-74-6

Product Name

4,7-Dibromo-5-fluorobenzo[c][1,2,5]thiadiazole

Structure

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

4,7-Dibromo-5-Fluoro-2,1,3-Benzothiadiazole; 5-Fluoro-4,7-Dibromo-[2,1,3]Benzothiadiazole

IUPAC Name

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

Molecular Weight

311.95

Molecular Formula

C6HBr2FN2S

Canonical SMILES

C1=C(C2=NSN=C2C(=C1F)Br)Br

InChI

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

InChI Key

KVZDYOVYIHJETJ-UHFFFAOYSA-N

Purity

97%

Appearance

White solid powder

Application

The purpose of 4,7-Dibromo-5-fluorobenzo[c][1,2,5]thiadiazole is to serve as a monomer for synthesizing polymers used in applications that require high power conversion efficiency, such as organic solar cells and high mobility organic field-effect transistors (OFETs). Its fluorination feature is crucial in lowering the polymer's highest occupied molecular orbital (HOMO) level, which contributes to achieving high open-circuit voltages, exceeding 0.7 V. For example, when integrated into high-efficiency Polymer F-PCPDTBT:PC70BM bulk heterojunction organic solar cells (OPVs), it can achieve a short-circuit current density (Jsc) of 14.1 mA/cm², an open-circuit voltage (VOC) of 0.74 V, a fill factor (FF) of 0.58, and a power conversion efficiency (PCE) of 6.2%.

Complexity

185

Covalently-Bonded Unit Count

Exact Mass

311.81907g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

309.82112g/mol

Rotatable Bond Count

XLogP3

3.3