Description

4-Iodobiphenyl (CAS No. 1591-31-7) is a high-purity organic compound with the molecular formula C₁₂H₉I and IUPAC name 1-iodo-4-phenylbenzene. This aromatic iodide is a valuable building block in synthetic organic chemistry, particularly in cross-coupling reactions such as Suzuki-Miyaura and Stille couplings. It is supplied as a crystalline solid with excellent stability under recommended storage conditions (room temperature, inert atmosphere). Our product undergoes rigorous quality control to ensure ≥98% purity (HPLC/GC), making it ideal for pharmaceutical intermediates, liquid crystal materials, and advanced material research. Each batch is accompanied by comprehensive analytical data including ¹H NMR, ¹³C NMR, and mass spectrometry reports. Available in research quantities (100mg to 100g) with custom bulk packaging options.

Properties

• CAS Number: 1591-31-7
• Complexity: 141
• IUPAC Name: 1-iodo-4-phenyl-benzene
• InChI: InChI=1S/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
• InChI Key: NXYICUMSYKIABQ-UHFFFAOYSA-N
• Exact Mass: 279.97490
• Molecular Formula: C12H9I
• Molecular Weight: 280.10
• SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)I
• Monoisotopic Mass: 279.97490
• Synonyms: 4-IODOBIPHENYL, 1591-31-7, 1,1′-Biphenyl, 4-iodo-, p-Iodobiphenyl, 4-Biphenyl iodide, p-Phenyliodobenzene, 4-Iododiphenyl, Biphenyl, 4-iodo-, AI3-15372, NSC 3791, EINECS 216-469-1, DTXSID7061807, Biphenyl, 4-iodo-(8CI), DTXCID4035122, 216-469-1, 4-Iodo-1,1′-biphenyl, 1-iodo-4-phenylbenzene, MFCD00019028, NSC-3791, 4-iodo-1-phenylbenzene, 4-Biphenylyl iodide, 4-IODO-BIPHENYL, 4-Iodobiphenyl, 97%, 6AN2BA2TAV, 1, 4-iodo-, 1-iodanyl-4-phenyl-benzene, SCHEMBL45621, SCHEMBL453855, SCHEMBL459014, SCHEMBL27991173, SCHEMBL28185184, NXYICUMSYKIABQ-UHFFFAOYSA-, NSC3791, BCP06698, BBL002447, CX1310, SBB054175, STK325713, AKOS000275836, CS-W002119, FI10763, GS-3356, AC-22940, SY014973, I0785, NS00025181, ST45021361, EN300-18000, A810002, AE-848/30708050, InChI=1/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

Application

4-Iodobiphenyl serves as a versatile precursor in palladium-catalyzed cross-coupling reactions for creating biaryl structures in medicinal chemistry. It’s particularly useful in synthesizing liquid crystal compounds for display technologies due to its rigid biphenyl core. Researchers employ this compound in material science for constructing organic semiconductors and photovoltaic materials. The iodine moiety makes it valuable for radio-labeling studies in biochemical research.

Safety and Hazards

GHS Hazard Statements

• H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H318 (89.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H400 (97.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501

Hazard Classes and Categories

• Acute Tox. 4 (89.1%)
• Eye Dam. 1 (89.1%)
• Aquatic Acute 1 (97.8%)
• Aquatic Chronic 1 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.