4-Iodophenol

• CAS: 540-38-5
• Catalog Number: ACM540385
• Category: Other
• Molecular Weight: 220.01g/mol
• Molecular Formula: C6H5IO
• IUPAC Name: 4-iodophenol
• Canonical SMILES: C1=CC(=CC=C1O)I
• InChI: InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H
• InChI Key: VSMDINRNYYEDRN-UHFFFAOYSA-N
• Melting Point: 93.5 °C
• Application: 4-Iodophenol, a light brown powder, plays a vital role in a variety of scientific and industrial applications due to its versatile chemical properties. This compound, which is slightly soluble in water but dissolves readily in ethanol, ether, and other organic solvents, is primarily utilized in chemiluminescence imaging assays and experiments, serving as a diagnostic agent for detecting cancer cells. In the pharmaceutical arena, it acts as an intermediate in synthesizing agonists for the estrogen β receptor. Its significance extends to the medical industry and human and animal nutrition products. Additionally, 4-Iodophenol is a valuable building block in chemical synthesis, facilitating the creation of hydroxybiaryls through Pd-catalyzed Suzuki-Miyaura coupling reactions with aryl boronic acids, and aryl-substituted olefins via Pd-catalyzed Heck reactions with acrylates. It is also instrumental in the synthesis of iodinated-4-aryloxymethylcoumarins, hydroxylated stilbenoids, and compounds like psammaplysenes A and B, proving indispensable in research and therapeutic developments.
• Complexity: 66.9
• Covalently-Bonded Unit Count: 1
• EC Number: 208-745-5
• Exact Mass: 219.93851g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 8
• LogP: 2.91 (LogP)
• Monoisotopic Mass: 219.93851g/mol
• NSC Number: 91464
• Rotatable Bond Count: 0
• UNII: BH194BAK0B
• XLogP3: 2.9