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Atomfair 5,8-Bis(5-bromo-4-(2-butyloctyl)thiophen-2-yl)dithieno[3′,2′:3,4;2”,3”:5,6]benzo[1,2-c][1,2,5]thiadiazole C42H54Br2N2S5 CAS 2433725-51-8

5,8-Bis(5-bromo-4-(2-butyloctyl)thiophen-2-yl)dithieno[3′,2′:3,4;2”,3”:5,6]benzo[1,2-c][1,2,5]thiadiazole (CAS: 2433725-51-8) is a high-purity, advanced organic semiconductor material with the molecular formula C42H54Br2N2S5. This compound features a complex fused heterocyclic core structure with brominated thiophene and extended π-conjugation, making it ideal for optoelectronic applications. Its IUPAC name is 9,14-bis[5-bromo-4-(2-butyloctyl)thiophen-2-yl]-4,10,13-trithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaene . The material is supplied as a finely powdered solid, rigorously characterized by1H/13C NMR, HPLC, and elemental analysis to ensure >98% purity. Suitable for research in organic photovoltaics (OPVs), perovskite solar cells, and thin-film transistors (TFTs), this compound offers exceptional charge transport properties and tunable bandgap engineering.

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Description

5,8-Bis(5-bromo-4-(2-butyloctyl)thiophen-2-yl)dithieno[3′,2′:3,4;2”,3”:5,6]benzo[1,2-c][1,2,5]thiadiazole (CAS: 2433725-51-8) is a high-purity, advanced organic semiconductor material with the molecular formula C42H54Br2N2S5. This compound features a complex fused heterocyclic core structure with brominated thiophene and extended π-conjugation, making it ideal for optoelectronic applications. Its IUPAC name is 9,14-bis[5-bromo-4-(2-butyloctyl)thiophen-2-yl]-4,10,13-trithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaene. The material is supplied as a finely powdered solid, rigorously characterized by 1H/13C NMR, HPLC, and elemental analysis to ensure >98% purity. Suitable for research in organic photovoltaics (OPVs), perovskite solar cells, and thin-film transistors (TFTs), this compound offers exceptional charge transport properties and tunable bandgap engineering.

Properties

  • CAS Number: 2433725-51-8
  • Complexity: 936
  • IUPAC Name: 9,14-bis[5-bromo-4-(2-butyloctyl)-2-thienyl]-4,10,13-trithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaene
  • InChI: InChI=1S/C42H54Br2N2S5/c1-5-9-13-15-19-27(17-11-7-3)21-29-23-33(49-41(29)43)35-25-31-37-38(46-51-45-37)32-26-36(48-40(32)39(31)47-35)34-24-30(42(44)50-34)22-28(18-12-8-4)20-16-14-10-6-2/h23-28H,5-22H2,1-4H3
  • InChI Key: LRYLVBFSNDXVDD-UHFFFAOYSA-N
  • Exact Mass: 906.12368
  • Molecular Formula: C42H54Br2N2S5
  • Molecular Weight: 907.0
  • SMILES: CCCCCCC(CCCC)CC1=C(SC(=C1)C2=CC3=C(S2)C4=C(C=C(S4)C5=CC(=C(S5)Br)CC(CCCC)CCCCCC)C6=NSN=C36)Br
  • Topological: 167
  • Monoisotopic Mass: 904.12573
  • Synonyms: 2433725-51-8, 5,8-Bis(5-bromo-4-(2-butyloctyl)thiophen-2-yl)dithieno[3′,2′:3,4;2”,3”:5,6]benzo[1,2-c][1,2,5]thiadiazole, 5,8-bis(5-bromo-4-(2-butyloctyl)thiophen-2-yl)dithieno(3′,2′:3,4;2”,3”:5,6)benzo(1,2-c)(1,2,5)thiadiazole, 891-316-5, SCHEMBL23627025, SB66276

Application

This compound serves as a key building block for high-performance organic electronic devices, particularly in donor-acceptor polymer systems for bulk heterojunction solar cells. Its brominated thiophene units enable efficient cross-coupling reactions (e.g., Stille or Suzuki polymerization) to construct conjugated polymers with tailored optoelectronic properties. Researchers utilize it to develop low-bandgap materials for near-infrared absorption and improved photovoltaic efficiency. The 2-butyloctyl side chains enhance solubility for solution processing while maintaining crystalline ordering in thin films.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

  • P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)

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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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Certain molecules may be protected by active patents or regulatory restrictions.

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