Description

2,7-Dibromo-9,9-bis(4-hexylphenyl)-9H-fluorene (CAS No. 1059179-65-5) is a high-purity organic compound with the molecular formula C₃₇H₄₀Br₂. This brominated fluorene derivative is a valuable building block in organic synthesis, particularly in the development of advanced materials such as organic semiconductors, OLEDs (organic light-emitting diodes), and photovoltaic devices. Its unique structure, featuring two hexylphenyl groups at the 9-position and bromine atoms at the 2,7-positions, enhances solubility and facilitates further functionalization via cross-coupling reactions (e.g., Suzuki or Stille couplings). Ideal for researchers in materials science and optoelectronics, this compound is supplied with comprehensive analytical data (HPLC, NMR, MS) to ensure quality and consistency. Store under inert conditions to maintain stability.

Properties

• CAS Number: 1059179-65-5
• Complexity: 642
• IUPAC Name: 2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene
• InChI: InChI=1S/C37H40Br2/c1-3-5-7-9-11-27-13-17-29(18-14-27)37(30-19-15-28(16-20-30)12-10-8-6-4-2)35-25-31(38)21-23-33(35)34-24-22-32(39)26-36(34)37/h13-26H,3-12H2,1-2H3
• InChI Key: VEVPFFNTCVXORC-UHFFFAOYSA-N
• Exact Mass: 644.14763
• Molecular Formula: C37H40Br2
• Molecular Weight: 644.5
• SMILES: CCCCCCC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br)C5=CC=C(C=C5)CCCCCC
• Monoisotopic Mass: 642.14968
• Synonyms: 2,7-Dibromo-9,9-bis(4-hexylphenyl)-9H-fluorene, 1059179-65-5, SCHEMBL2825081, DB-116505

Application

2,7-Dibromo-9,9-bis(4-hexylphenyl)-9H-fluorene is widely used as a key intermediate in the synthesis of conjugated polymers for organic electronic applications. Its brominated sites enable efficient polymerization via palladium-catalyzed cross-coupling reactions, yielding materials with tunable optoelectronic properties. This compound is particularly valuable in the fabrication of OLEDs and PLEDs (polymer light-emitting diodes) due to its high charge-carrier mobility and thermal stability. Researchers also exploit its structural motif to design novel hole-transporting materials for perovskite solar cells.

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