4,7-Bis(5-bromo-2-thienyl)-2,1,3-benzothiadiazole , ≥95.0%(HPLC) , 288071-87-4

CAS NO.：288071-87-4

Empirical Formula: C14H6Br2N2S3

Molecular Weight: 458.21

MDL number: MFCD16619295

PRODUCT Properties

• Melting point: 245.0 to 249.0 °C
• Boiling point: 527.3±45.0 °C(Predicted)
• Density: 1.898
• storage temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• form: solid
• pka: -1.63±0.50(Predicted)
• color: Orange to Brown to Dark purple
• InChI: InChI=1S/C14H6Br2N2S3/c15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14/h1-6H
• InChIKey: ZIIMIGRZSUYQGW-UHFFFAOYSA-N
• SMILES: N1=C2C(C3SC(Br)=CC=3)=CC=C(C3SC(Br)=CC=3)C2=NS1

Description and Uses

4,7-bis(5-bromothiophen-2-yl)benzo[c][1,2,5]thiadiazole is often used as an electron acceptor to synthesize donor–acceptor conjugated polymers. For example, it can be used as a high-purity monomer with 4-(4-((2-ethylhexyl)oxy)phenyl)-4H-dithieno[3,2-b:2′,3′-d]pyrrole (EPDP) through direct (hetero)arylation polymerization and using Pd(OAc)₂ as a catalyst system to prepare donor-acceptor (D–A) conjugated polymers. This polymer can be used in the preparation of organic solar cells based on bulk-heterojunction (BHJ) structures[1].

4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and pharmaceutical and chemical production processes.

Safety

• Symbol(GHS): GHS05,GHS06
• Signal word: Danger
• Hazard statements: H301-H318
• Precautionary statements: P280-P301+P310+P330-P305+P351+P338+P310
• Hazard Codes: T
• Risk Statements: 25-41
• Safety Statements: 26-39-45
• RIDADR: UN 2811 6.1 / PGIII
• WGK Germany: 3
• HS Code: 29349990