Description

4-Butyl-4′-iodobiphenyl (CAS No. 199982-02-0) is a high-purity organic compound with the molecular formula C₁₆H₁₇I, widely utilized in advanced chemical research and material science applications. This iodinated biphenyl derivative features a butyl substituent at the 4-position and an iodine atom at the 4′-position, offering unique reactivity for cross-coupling reactions such as Suzuki-Miyaura or Ullmann-type couplings. Its crystalline solid form and well-defined structure make it an excellent intermediate for synthesizing liquid crystals, pharmaceuticals, and functional organic materials. With a molecular weight of 312.21 g/mol, this compound is rigorously tested for purity (typically ≥95% by HPLC or GC) and is supplied in sealed packaging under inert conditions to ensure stability. Researchers value its role in constructing complex aromatic systems and as a precursor for optoelectronic materials.

Properties

• CAS Number: 199982-02-0
• Complexity: 198
• IUPAC Name: 1-butyl-4-(4-iodophenyl)benzene
• InChI: InChI=1S/C16H17I/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h5-12H,2-4H2,1H3
• InChI Key: KTEKHPDWAMYUBP-UHFFFAOYSA-N
• Exact Mass: 336.03750
• Molecular Formula: C16H17I
• Molecular Weight: 336.21
• SMILES: CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)I
• Monoisotopic Mass: 336.03750
• Synonyms: 4-BUTYL-4′-IODOBIPHENYL, 199982-02-0, 1-butyl-4-(4-iodophenyl)benzene, 1,1′-Biphenyl, 4-butyl-4′-iodo-, 4′-BUTYL-4-IODOBIPHENYL, 4-Butyl-4′-iodo-1,1′-biphenyl, C16H17I, MFCD16619281, SCHEMBL28569016, DTXSID30697240, KTEKHPDWAMYUBP-UHFFFAOYSA-N, AKOS015909737, DS-13876, DB-066025, B5211, CS-0152346, T70523

Application

4-Butyl-4′-iodobiphenyl serves as a key intermediate in the synthesis of liquid crystals for display technologies due to its rigid biphenyl core and iodine-based reactivity. It is employed in palladium-catalyzed cross-coupling reactions to build extended π-conjugated systems for organic semiconductors. The compound also finds use in pharmaceutical research for constructing bioactive molecules targeting aryl receptor interactions. Its iodine moiety allows for further functionalization via halogen exchange or nucleophilic substitution, enabling diverse derivatization pathways.

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