Description

1,4-Dibromo-2,5-dihexylbenzene (CAS No. 117635-21-9) is a high-purity brominated aromatic compound with the molecular formula C₁₈H₂₈Br₂. This specialty chemical features a benzene core symmetrically substituted with two bromine atoms at the 1 and 4 positions and two hexyl chains at the 2 and 5 positions, offering unique steric and electronic properties. With a molecular weight of 412.22 g/mol, it is particularly valuable in materials science and organic synthesis applications. The compound is supplied as a crystalline solid with >95% purity (GC), ensuring consistency for research and industrial use. Its lipophilic hexyl substituents enhance solubility in organic solvents while the bromine atoms provide reactive sites for further functionalization. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability.

Properties

• CAS Number: 117635-21-9
• Complexity: 205
• IUPAC Name: 1,4-dibromo-2,5-dihexyl-benzene
• InChI: InChI=1S/C18H28Br2/c1-3-5-7-9-11-15-13-18(20)16(14-17(15)19)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
• InChI Key: PDYWYSUEPGNSRY-UHFFFAOYSA-N
• Exact Mass: 404.05373
• Molecular Formula: C18H28Br2
• Molecular Weight: 404.2
• SMILES: CCCCCCC1=CC(=C(C=C1Br)CCCCCC)Br
• Monoisotopic Mass: 402.05578
• Synonyms: 1,4-dibromo-2,5-dihexylbenzene, 117635-21-9, DTXSID20390910, DTXCID30341771, 2,5-Bis(hexyl)-1,4-dibromobenzene, 2,5-DIHEXYL-1,4-DIBROMOBENZENE, MFCD01318993, C18H28Br2, Benzene, 1,4-dibromo-2,5-dihexyl-, SCHEMBL351893, PDYWYSUEPGNSRY-UHFFFAOYSA-N, 1,4-Dibromo-(2,5-dihexyl)benzene, AKOS015839667, AS-61278, SY062745, CS-0134087, D5829, C71568

Application

1,4-Dibromo-2,5-dihexylbenzene serves as a key building block in the synthesis of conjugated polymers for organic electronic devices. Researchers utilize this compound as a monomer in Suzuki or Stille coupling reactions to create π-extended systems for OLED and OPV applications. The hexyl chains promote solubility while the bromine atoms enable efficient cross-coupling. It’s also employed in liquid crystal research and as an intermediate for functional materials with tailored optoelectronic properties.

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