Description

1,2-Dibromo-5-(tert-butyl)-3-iodobenzene (CAS No. 2803656-72-4) is a high-purity halogenated aromatic compound with the molecular formula C₁₀H₁₁Br₂I. This organobromine and organoiodine derivative features a tert-butyl group at the 5-position, making it a valuable intermediate for synthetic organic chemistry and materials science applications. With its distinct reactivity profile, this compound is ideal for cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, as well as nucleophilic aromatic substitutions. Available in research quantities, our product is rigorously tested for purity and consistency, ensuring reliable performance in demanding laboratory environments. Suitable for use in pharmaceutical research, agrochemical development, and advanced material synthesis.

Properties

• CAS Number: 2803656-72-4
• Complexity: 176
• IUPAC Name: 1,2-dibromo-5-tert-butyl-3-iodo-benzene
• InChI: InChI=1S/C10H11Br2I/c1-10(2,3)6-4-7(11)9(12)8(13)5-6/h4-5H,1-3H3
• InChI Key: QKNUBHWBUAOOCE-UHFFFAOYSA-N
• Exact Mass: 417.82517
• Molecular Formula: C10H11Br2I
• Molecular Weight: 417.91
• SMILES: CC(C)(C)C1=CC(=C(C(=C1)I)Br)Br
• Monoisotopic Mass: 415.82722
• Synonyms: 2803656-72-4, SCHEMBL25888247, 1,2-Dibromo-5-(tert-butyl)-3-iodobenzene, 1,2-Dibromo-5-(1,1-dimethylethyl)-3-iodobenzene, Benzene, 1,2-dibromo-5-(1,1-dimethylethyl)-3-iodo-

Application

1,2-Dibromo-5-(tert-butyl)-3-iodobenzene serves as a versatile building block in organic synthesis, particularly in the preparation of complex aromatic systems. Its halogen-rich structure enables efficient functionalization via metal-catalyzed cross-coupling reactions, making it valuable for drug discovery and ligand design. The tert-butyl group enhances steric and electronic modulation in target molecules, useful in materials science for creating tailored organic semiconductors or liquid crystals. Researchers also employ this compound in the development of flame retardants and halogenated specialty chemicals.

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