Cas no 626250-54-2 (3-Iodo-4-Methylphenol)

3-Iodo-4-Methylphenol is a halogenated phenolic compound characterized by the presence of an iodine substituent at the 3-position and a methyl group at the 4-position of the phenol ring. This structural configuration imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions and pharmaceutical applications. Its iodine moiety enhances electrophilic substitution potential, while the methyl group contributes to steric and electronic modulation. The compound is often utilized in the preparation of more complex molecules, including agrochemicals and specialty chemicals, due to its stability and predictable reactivity under controlled conditions. Proper handling is advised due to its halogenated nature.
3-Iodo-4-Methylphenol structure
3-Iodo-4-Methylphenol structure
Product Name:3-Iodo-4-Methylphenol
CAS No:626250-54-2
MF:C7H7IO
MW:234.034354448318
MDL:MFCD09261218
CID:956996
PubChem ID:53425696
Update Time:2025-10-22

3-Iodo-4-Methylphenol Chemical and Physical Properties

Names and Identifiers

    • 3-Iodo-4-methyl-phenol
    • 1-Methyl-2-iodo-4-hydroxybenzene
    • 3-iodo-4-methylphenol
    • CS-0195156
    • SCHEMBL2321509
    • E90205
    • MFCD09261218
    • 626250-54-2
    • DA-04270
    • DTXSID30698954
    • AKOS027425838
    • BAB25054
    • QSRHEJRMXKBBKI-UHFFFAOYSA-N
    • MB07177
    • Phenol, 3-iodo-4-methyl-
    • 3-Iodo-4-Methylphenol
    • MDL: MFCD09261218
    • Inchi: 1S/C7H7IO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
    • InChI Key: QSRHEJRMXKBBKI-UHFFFAOYSA-N
    • SMILES: IC1C=C(C=CC=1C)O

Computed Properties

  • Exact Mass: 233.95416g/mol
  • Monoisotopic Mass: 233.95416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 94.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 20.2?2

3-Iodo-4-Methylphenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
I737728-50mg
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$ 50.00 2022-06-02
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abcr
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Advanced ChemBlocks
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Additional information on 3-Iodo-4-Methylphenol

Research Briefing on 3-Iodo-4-Methylphenol (CAS: 626250-54-2) and Its Applications in Chemical Biology and Pharmaceutical Research

3-Iodo-4-Methylphenol (CAS: 626250-54-2) is a halogenated phenolic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound serves as a key intermediate in the synthesis of various bioactive molecules, including potential drug candidates and diagnostic agents. Recent studies have explored its utility in medicinal chemistry, particularly in the development of novel therapeutic agents targeting infectious diseases, cancer, and neurological disorders.

One of the most notable advancements in the use of 3-Iodo-4-Methylphenol is its incorporation into radiopharmaceuticals for positron emission tomography (PET) imaging. Researchers have successfully labeled this compound with iodine-125 (^125I) and iodine-131 (^131I), enabling its use in targeted imaging and therapy. A 2023 study published in the Journal of Medicinal Chemistry demonstrated the efficacy of ^125I-labeled 3-Iodo-4-Methylphenol in visualizing tumor microenvironments, offering new insights into cancer progression and treatment response.

In addition to its imaging applications, 3-Iodo-4-Methylphenol has shown promise as a building block for the synthesis of antimicrobial agents. A recent study in Bioorganic & Medicinal Chemistry Letters highlighted its role in the development of novel iodophenol derivatives with potent activity against multidrug-resistant bacterial strains. The study reported that these derivatives exhibited minimal cytotoxicity to human cells, suggesting their potential as safe and effective antimicrobial therapeutics.

Another emerging area of research involves the use of 3-Iodo-4-Methylphenol in the design of enzyme inhibitors. A 2024 paper in ACS Chemical Biology detailed the compound's ability to modulate the activity of tyrosine kinases, which are critical targets in cancer therapy. The researchers utilized structure-activity relationship (SAR) studies to optimize the compound's inhibitory potency, paving the way for the development of next-generation kinase inhibitors.

Despite these promising developments, challenges remain in the large-scale synthesis and application of 3-Iodo-4-Methylphenol. Issues such as stability under physiological conditions and potential off-target effects need to be addressed in future studies. However, the compound's versatility and demonstrated efficacy in multiple research areas underscore its importance in advancing chemical biology and pharmaceutical science.

In conclusion, 3-Iodo-4-Methylphenol (CAS: 626250-54-2) represents a valuable tool in modern drug discovery and diagnostic imaging. Ongoing research continues to uncover new applications and refine its use, making it a compound of significant interest to the scientific community. Future studies should focus on optimizing its pharmacological properties and expanding its therapeutic potential.

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