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Atomfair 4,8-Dibromo-6-(2-ethylhexyl)-[1,2,5]thiadiazolo[3,4f]benzotriazole C14H17Br2N5S CAS 1307899-44-0

4,8-Dibromo-6-(2-ethylhexyl)-[1,2,5]thiadiazolo[3,4f]benzotriazole (CAS No. 1307899-44-0) is a high-purity heterocyclic organic compound with the molecular formula C14H17Br2N5S. This specialized chemical features a complex fused-ring structure incorporating thiadiazole and benzotriazole moieties, with bromine substitutions at the 4 and 8 positions and a 2-ethylhexyl side chain. With an IUPAC name of 2,8-dibromo-11-(2-ethylhexyl)-5lambda4-thia-4,6,10,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene , this compound is particularly valuable for advanced materials research and organic electronic applications. The product is supplied as a solid with guaranteed purity suitable for research and development purposes. Proper handling under inert atmosphere is recommended due to potential sensitivity to moisture and oxygen.

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Description

4,8-Dibromo-6-(2-ethylhexyl)-[1,2,5]thiadiazolo[3,4f]benzotriazole (CAS No. 1307899-44-0) is a high-purity heterocyclic organic compound with the molecular formula C14H17Br2N5S. This specialized chemical features a complex fused-ring structure incorporating thiadiazole and benzotriazole moieties, with bromine substitutions at the 4 and 8 positions and a 2-ethylhexyl side chain. With an IUPAC name of 2,8-dibromo-11-(2-ethylhexyl)-5lambda4-thia-4,6,10,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene, this compound is particularly valuable for advanced materials research and organic electronic applications. The product is supplied as a solid with guaranteed purity suitable for research and development purposes. Proper handling under inert atmosphere is recommended due to potential sensitivity to moisture and oxygen.

Properties

  • CAS Number: 1307899-44-0
  • Complexity: 425
  • IUPAC Name: 2,8-dibromo-11-(2-ethylhexyl)-5lambda4-thia-4,6,10,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
  • InChI: InChI=1S/C14H17Br2N5S/c1-3-5-6-8(4-2)7-21-17-11-9(15)13-14(20-22-19-13)10(16)12(11)18-21/h8H,3-7H2,1-2H3
  • InChI Key: UTGGTXAEOYGVGS-UHFFFAOYSA-N
  • Exact Mass: 446.95509
  • Molecular Formula: C14H17Br2N5S
  • Molecular Weight: 447.2
  • SMILES: CCCCC(CC)CN1N=C2C(=C3C(=C(C2=N1)Br)N=S=N3)Br
  • Topological: 56.4
  • Monoisotopic Mass: 444.95714
  • Synonyms: 1307899-44-0, 4,8-Dibromo-6-(2-ethylhexyl)-[1,2,5]thiadiazolo[3,4f]benzotriazole, 2,8-Dibromo-11-(2-ethylhexyl)-5lambda4-thia-4,6,10,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene, SCHEMBL24996516, DB-112954, 4,8-Dibromo-6-(2-ethylhexyl)-6H-242-[1,2,3]triazolo[4,5-f]-2,1,3-benzothiadiazole

Application

This compound serves as a key building block in the synthesis of organic semiconductors and conjugated polymers for optoelectronic applications. Researchers utilize it as a precursor for developing narrow-bandgap materials in organic photovoltaics and field-effect transistors. The bromine substitutions make it particularly valuable for cross-coupling reactions in polymer synthesis. Its unique fused-ring structure contributes to electron transport properties in advanced material systems.

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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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