Description

1,3,5-Tris(4-iodophenyl)benzene (CAS No. 151417-38-8) is a high-purity aromatic compound with the molecular formula C₂₄H₁₅I₃. This iodinated benzene derivative features three para-iodophenyl groups symmetrically arranged around a central benzene ring, making it a valuable building block in organic synthesis and materials science. Its crystalline structure and high molecular weight (MW: 660.09 g/mol) lend it to applications in supramolecular chemistry, liquid crystals, and as a precursor for cross-coupling reactions. The compound is characterized by excellent thermal stability and is supplied as a fine, off-white to pale yellow powder. Store in a cool, dry place, protected from light and moisture to ensure long-term stability.

Properties

• CAS Number: 151417-38-8
• Complexity: 364
• IUPAC Name: 1,3,5-tris(4-iodophenyl)benzene
• InChI: InChI=1S/C24H15I3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H
• InChI Key: KGLWDSJGGFTHHD-UHFFFAOYSA-N
• Exact Mass: 683.8308
• Molecular Formula: C24H15I3
• Molecular Weight: 684.1
• SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)I)C4=CC=C(C=C4)I)I
• Monoisotopic Mass: 683.8308
• Synonyms: 151417-38-8, 1,3,5-Tris(4-iodophenyl)benzene, DTXSID80445591, DTXCID20396412, 625-108-0, 4,4”-Diiodo-5′-(4-iodophenyl)-1,1′:3′,1”-terphenyl, 1,1′:3′,1”-Terphenyl, 4,4”-diiodo-5′-(4-iodophenyl)-, 1 3 5-TRIS(4-IODOPHENYL)BENZENE)90, 1,3,5-tri(4-iodophenyl)benzene, C24H15I3, MFCD07369795, YSWG551, SCHEMBL1989297, KGLWDSJGGFTHHD-UHFFFAOYSA-N, AKOS016006740, CS-W013787, AC-29169, DA-16733, DS-17560, 1,3,5-Tris(4-iodophenyl)benzene, 98%, T3084, C72875, 1 3 5-TRIS(4-IODOPHENYL)BENZENE) 90, 1 3 5-TRIS(4-IODOPHENYL)BENZENE) 90, 4,4 inverted exclamation mark inverted exclamation mark -Diiodo-5 inverted exclamation mark -(4-Iodophenyl)-1,1 inverted exclamation mark :3 inverted exclamation mark ,1 inverted exclamation mark inverted exclamation mark -Terphenyl

Application

1,3,5-Tris(4-iodophenyl)benzene is widely used as a key intermediate in the synthesis of advanced organic materials, including porous organic frameworks (POFs) and covalent organic frameworks (COFs). Its iodine substituents make it a versatile substrate for Sonogashira, Suzuki, and other palladium-catalyzed cross-coupling reactions. Researchers also employ it in the development of luminescent materials and as a structural motif in liquid crystal engineering.

Safety and Hazards

GHS Hazard Statements

• H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P264+P265, P280, P305+P354+P338, and P317

Hazard Classes and Categories

• Eye Dam. 1 (97.5%)

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