Cas no 133430-98-5 (2-Bromo-4-iodophenol)

2-Bromo-4-iodophenol structure
2-Bromo-4-iodophenol structure
Product Name:2-Bromo-4-iodophenol
CAS No:133430-98-5
MF:C6H4BrIO
MW:298.903833389282
MDL:MFCD11870189
CID:899582
PubChem ID:22160860
Update Time:2025-07-20

2-Bromo-4-iodophenol Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-4-iodophenol
    • 2-Brom-4-jod-phenol
    • 2-bromo-4-iodo-phenol
    • QC-8696
    • PEAOEILWTHNQKK-UHFFFAOYSA-N
    • SY031310
    • C13370
    • AS-19614
    • CS-0139110
    • MFCD11870189
    • DA-26839
    • EN300-196203
    • Phenol, 2-bromo-4-iodo-
    • SCHEMBL2325475
    • DTXSID30623049
    • AKOS022172292
    • 133430-98-5
    • MB10373
    • MDL: MFCD11870189
    • Inchi: 1S/C6H4BrIO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
    • InChI Key: PEAOEILWTHNQKK-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=C(C=1)Br)O

Computed Properties

  • Exact Mass: 297.84900
  • Monoisotopic Mass: 297.84902g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 99.1
  • 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: 2.9
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 2.369±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 51 oC
  • Boiling Point: 280.0±30.0 oC (760 Torr),
  • Flash Point: 123.2±24.6 oC,
  • Solubility: Very slightly soluble (0.63 g/l) (25 o C),
  • PSA: 20.23000
  • LogP: 2.75930

2-Bromo-4-iodophenol Customs Data

  • HS CODE:2908199090
  • Customs Data:

    China Customs Code:

    2908199090

    Overview:

    HS:2908199090 Derivatives of other phenols and phenolic alcohols containing only halogen substituents and their salts VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

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Additional information on 2-Bromo-4-iodophenol

Recent Advances in the Application of 2-Bromo-4-iodophenol (CAS: 133430-98-5) in Chemical Biology and Pharmaceutical Research

2-Bromo-4-iodophenol (CAS: 133430-98-5) 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 crucial intermediate in the synthesis of various bioactive molecules, including pharmaceuticals, agrochemicals, and materials. Its unique structural features, characterized by the presence of both bromine and iodine substituents, make it a valuable building block for cross-coupling reactions and other synthetic transformations. Recent studies have explored its potential in drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents.

One of the most notable advancements in the use of 2-Bromo-4-iodophenol is its role in the synthesis of novel kinase inhibitors. Kinases are key regulators of cellular signaling pathways and are often implicated in diseases such as cancer and inflammatory disorders. Researchers have leveraged the reactivity of 2-Bromo-4-iodophenol to construct complex heterocyclic scaffolds that exhibit potent inhibitory activity against specific kinase targets. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated the utility of this compound in the synthesis of a new class of BTK (Bruton's tyrosine kinase) inhibitors, which show promise for treating B-cell malignancies.

In addition to its applications in drug discovery, 2-Bromo-4-iodophenol has also been employed in the development of antimicrobial agents. The halogen atoms in this compound contribute to its ability to disrupt microbial cell membranes and inhibit essential enzymatic processes. A recent study in Bioorganic & Medicinal Chemistry Letters highlighted the synthesis of a series of halogenated phenolic derivatives, including 2-Bromo-4-iodophenol, which exhibited broad-spectrum activity against drug-resistant bacterial strains. These findings underscore the potential of this compound in addressing the growing challenge of antibiotic resistance.

Beyond its biological applications, 2-Bromo-4-iodophenol has also found use in materials science. Its ability to participate in Suzuki-Miyaura and other cross-coupling reactions makes it a valuable precursor for the synthesis of conjugated polymers and organic electronic materials. Researchers have reported the use of this compound in the fabrication of organic light-emitting diodes (OLEDs) and photovoltaic devices, where its halogenated structure enhances charge transport properties. A 2022 study in Advanced Materials detailed the incorporation of 2-Bromo-4-iodophenol into a novel polymer backbone, resulting in improved device performance and stability.

Despite its promising applications, the handling and use of 2-Bromo-4-iodophenol require careful consideration of safety and environmental concerns. The compound's halogenated nature poses potential toxicity risks, and proper disposal methods must be followed to minimize environmental impact. Recent regulatory updates have emphasized the need for greener synthetic approaches, such as catalytic halogenation and solvent-free reactions, to reduce the ecological footprint associated with its production and use.

In conclusion, 2-Bromo-4-iodophenol (CAS: 133430-98-5) continues to be a valuable tool in chemical biology and pharmaceutical research. Its diverse applications, ranging from drug discovery to materials science, highlight its versatility and importance in modern scientific endeavors. Ongoing research efforts are expected to further expand its utility, particularly in the development of targeted therapies and sustainable materials. As the field advances, it will be crucial to balance innovation with safety and environmental stewardship to fully realize the potential of this remarkable compound.

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