1331742-86-9

Basic information

• Product Name: 7-bromobenzo[c][1,2,5]thiadiazole-4-carbonitrile
• Synonyms: 7-bromobenzo[c][1,2,5]thiadiazole-4-carbonitrile;4-bromo-7-cyano-2,1,3-benzothiadiazole;7-Bromo-2,1,3-benzothiadiazole-4-carbonitrile
• CAS NO: 1331742-86-9
• Molecular Formula: C₇H₂BrN₃S
• Molecular Weight: 240.07988
• EINECS: -0
• Mol File: 1331742-86-9.mol

Chemical Properties

• Melting Point: 258.0 to 262.0 °C
• Boiling Point: 347.6±22.0 °C(Predicted)
• Appearance: /
• Density: 1.94±0.1 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: -4.23±0.50(Predicted)
• CAS DataBase Reference: 7-bromobenzo[c][1,2,5]thiadiazole-4-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 7-bromobenzo[c][1,2,5]thiadiazole-4-carbonitrile(1331742-86-9)
• EPA Substance Registry System: 7-bromobenzo[c][1,2,5]thiadiazole-4-carbonitrile(1331742-86-9)

Safety Data

• Hazardous Substances Data: 1331742-86-9(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
7-bromobenzo[c][1,2,5]thiadiazole-4-carbonitrile is used as a building block for the synthesis of various organic compounds. Its unique structure allows for the creation of new molecules with potential applications in different fields.
Used in Pharmaceutical Development:
Due to its potential biological activities, 7-bromobenzo[c][1,2,5]thiadiazole-4-carbonitrile is used as a candidate for drug development. Its specific properties may contribute to the discovery of new therapeutic agents.
Used in Materials Science:
7-bromobenzo[c][1,2,5]thiadiazole-4-carbonitrile is used in the design and development of new materials with specific properties. Its structural features make it interesting for creating materials with tailored characteristics for various applications.
However, it is important to note that further research is required to fully understand and exploit the potential applications of 7-bromobenzo[c][1,2,5]thiadiazole-4-carbonitrile in these industries.

Upstream product

• 1071224-34-4 7-bromobenzo[c][1,2,5]thiadiazole-4-carboxaldehyde 
• 601-87-6 3-methyl-2-nitroaniline 
• 2687-25-4 3-methyl-1,2-benzenediamine 
• 1457-92-7 4-Methyl-2,1,3-benzothiadiazol 
• 2255-80-3 4-bromo-7-methylbenzo[c][1,2,5]thiadiazole 
• 2255-78-9 4-bromo-7-(bromomethyl)benzo[c][1,2,5]thiadiazole 
• 15155-41-6 4,7-dibromobenzo[c][1,2,5]thiadiazole 

Relevant articles and documents

A Small Push-Pull Fluorophore for Turn-on Fluorescence

A new class of push-pull dyes is reported based on the structures of benzoxa- and benzothiadiazole heterocycles. This new class of dyes displays red-shifted wavelengths of emission and greater sensitivity to polarity and hydrogen bonding solvents relative to previously known derivatives.

New A-A-D-A-A-type electron donors for small molecule organic solar cells

Two A-A-D-A-A-type molecules (BCNDTS and BDCDTS), where two terminal electron-withdrawing cyano or dicyanovinylene moieties are connected to a central dithienosilole core through another electron-accepting 2,1,3-benzothiadiazole block, have been synthesized, characterized, and employed as electron donors for small molecule organic solar cells. Vacuum-deposited bilayer and planar mixed heterojunction devices based on BCNDTS and fullerene acceptors (C60 or C70) exhibited decent power conversion efficiencies of 2.3% and 3.7%, respectively.

Property modulation of benzodithiophene-based polymers via the incorporation of a covalently bonded novel 2,1,3-benzothiadiazole-1,2,4-oxadiazole derivative in their main chain for polymer solar cells

Two new electron accepting monomers (BBOB and BOB) containing two serially connected different electron deficient units, such as 2,1,3-benzothiadiazole and 1,2,4-oxadiazole, were prepared and copolymerized with electron-rich benzodithiophene (BDT) derivative to afford polymers P(BDT-BBOB) and P(BDT-BOB), respectively. The optical band gaps of P(BDT-BBOB) and P(BDT-BOB) are calculated to be 2.32 eV and 1.99 eV, respectively, and their highest occupied molecular energy levels are determined to be -5.31 eV and -5.27 eV, respectively. Each of the newly synthesized polymers, i.e.P(BDT-BBOB) and P(BDT-BOB), is used as an electron donor, along with PC61BM as an electron acceptor, in the preparation of polymer solar cells (PSCs). The PSCs made with the configuration of ITO/PEDOT:PSS/P(BDT-BBOB) or P(BDT-BOB):PC61BM (1 : 2 wt%)/LiF/Al gave a maximum power conversion efficiency (PCE) of 1.76% and 2.46%, respectively, and the device performance was further improved to 3.31% and 4.21%, respectively, by simply treating the photoactive layer of PSCs with isopropyl alcohol. Overall, the opto-electrical and photovoltaic properties of the two polymers are found to be quite dependent on the configuration of the covalently bonded 2,1,3-benzothiadiazole and 1,2,4-oxadiazole units incorporated in the polymer main chain.