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Atomfair 4,7-Bis(5-bromothiophen-2-yl)-5,6-difluoro-2-(2-octyldodecyl)-2H-benzo[d][1,2,3]triazole BTZ2F812-2ThBr C34H45Br2F2N3S2 CAS 1450590-67-6

4,7-Bis(5-bromothiophen-2-yl)-5,6-difluoro-2-(2-octyldodecyl)-2H-benzo[d][1,2,3]triazole (CAS: 1450590-67-6) is a high-purity, brominated and fluorinated benzotriazole derivative designed for advanced research applications. With the molecular formula C34H45Br2F2N3S2, this compound features a unique combination of electron-withdrawing bromothiophene groups and a hydrophobic 2-octyldodecyl chain, making it an excellent candidate for organic electronic materials, including organic photovoltaics (OPVs) and organic field-effect transistors (OFETs). Its rigid benzotriazole core enhances thermal and photochemical stability, while the bromine substituents allow for further functionalization via cross-coupling reactions. This product is rigorously characterized by HPLC, NMR, and MS to ensure ≥95% purity, meeting the stringent requirements of materials science researchers.

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Description

4,7-Bis(5-bromothiophen-2-yl)-5,6-difluoro-2-(2-octyldodecyl)-2H-benzo[d][1,2,3]triazole (CAS: 1450590-67-6) is a high-purity, brominated and fluorinated benzotriazole derivative designed for advanced research applications. With the molecular formula C34H45Br2F2N3S2, this compound features a unique combination of electron-withdrawing bromothiophene groups and a hydrophobic 2-octyldodecyl chain, making it an excellent candidate for organic electronic materials, including organic photovoltaics (OPVs) and organic field-effect transistors (OFETs). Its rigid benzotriazole core enhances thermal and photochemical stability, while the bromine substituents allow for further functionalization via cross-coupling reactions. This product is rigorously characterized by HPLC, NMR, and MS to ensure ≥95% purity, meeting the stringent requirements of materials science researchers.

Properties

  • CAS Number: 1450590-67-6
  • Complexity: 733
  • IUPAC Name: 4,7-bis(5-bromo-2-thienyl)-5,6-difluoro-2-(2-octyldodecyl)benzotriazole
  • InChI: InChI=1S/C34H45Br2F2N3S2/c1-3-5-7-9-11-12-14-16-18-24(17-15-13-10-8-6-4-2)23-41-39-33-29(25-19-21-27(35)42-25)31(37)32(38)30(34(33)40-41)26-20-22-28(36)43-26/h19-22,24H,3-18,23H2,1-2H3
  • InChI Key: BKUGVCCDXFERNU-UHFFFAOYSA-N
  • Exact Mass: 757.13692
  • Molecular Formula: C34H45Br2F2N3S2
  • Molecular Weight: 757.7
  • SMILES: CCCCCCCCCCC(CCCCCCCC)CN1N=C2C(=C(C(=C(C2=N1)C3=CC=C(S3)Br)F)F)C4=CC=C(S4)Br
  • Topological: 87.2
  • Monoisotopic Mass: 755.13897
  • Synonyms: 1450590-67-6, 4,7-Bis(5-bromothiophen-2-yl)-5,6-difluoro-2-(2-octyldodecyl)-2H-benzo[d][1,2,3]triazole, 4,7-bis(5-bromothiophen-2-yl)-5,6-difluoro-2-(2-octyldodecyl)benzotriazole, BTZ2F812-2ThBr, SCHEMBL15200733, 2H-Benzotriazole,4,7-bis(5-bromo-2-thienyl)-5,6-difluoro-2-(2-octyldodecyl)-

Application

This compound is primarily used as a key building block in the synthesis of conjugated polymers and small-molecule semiconductors for organic electronics. Its brominated thiophene units facilitate polymerization via Stille or Suzuki coupling, while the fluorinated benzotriazole core tunes optoelectronic properties. Applications include high-efficiency polymer solar cells, OFETs, and light-emitting diodes (OLEDs). The 2-octyldodecyl side chain improves solubility in common organic solvents, enabling solution-processable device fabrication.

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Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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