Cas no 1261989-57-4 (3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol)

3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol is a halogenated phenolic compound featuring both bromo and chloro substituents, along with a methoxy group, contributing to its distinct reactivity and structural properties. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as an intermediate in the development of bioactive molecules. The presence of multiple functional groups allows for selective modifications, making it a versatile building block for complex chemical architectures. Its stability under standard conditions and well-defined reactivity profile enhance its utility in controlled synthetic applications. Researchers value this compound for its precise structural characteristics and potential role in medicinal chemistry studies.
3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol structure
1261989-57-4 structure
Product Name:3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol
CAS No:1261989-57-4
MF:C13H10BrClO2
MW:313.574302196503
MDL:MFCD18316125
CID:2767914
PubChem ID:53221848
Update Time:2025-10-28

3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol Chemical and Physical Properties

Names and Identifiers

    • 3-BROMO-5-(4-CHLORO-2-METHOXYPHENYL)PHENOL
    • 3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol, 95%
    • 1261989-57-4
    • MFCD18316125
    • 5-Bromo-4'-chloro-2'-methoxy[1,1'-biphenyl]-3-ol
    • DTXSID00686444
    • 3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol
    • MDL: MFCD18316125
    • Inchi: 1S/C13H10BrClO2/c1-17-13-7-10(15)2-3-12(13)8-4-9(14)6-11(16)5-8/h2-7,16H,1H3
    • InChI Key: QQRZWUWWBVYVDP-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=C(C=1)C1C=CC(=CC=1OC)Cl)O

Computed Properties

  • Exact Mass: 311.955
  • Monoisotopic Mass: 311.955
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 252
  • 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
  • Topological Polar Surface Area: 29.5A^2
  • XLogP3: 4.5

3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB322331-5 g
3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol, 95%; .
1261989-57-4 95%
5g
€1159.00 2023-04-26
abcr
AB322331-5g
3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol, 95%; .
1261989-57-4 95%
5g
€1159.00 2025-03-19

Additional information on 3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol

3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol: A Comprehensive Overview

3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol, also known by its CAS number 1261989-57-4, is a chemically synthesized compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which includes a phenol group substituted with bromine and a chlorinated, methoxylated aromatic ring. The combination of these functional groups imparts distinctive chemical properties, making it a valuable molecule for various applications.

The molecular structure of 3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol consists of a central benzene ring with hydroxyl (-OH), bromine (-Br), and a substituted phenyl group attached at specific positions. The substituents on the benzene ring are strategically placed to influence the compound's reactivity and solubility. Recent studies have highlighted the importance of such substitution patterns in modulating the biological activity of phenolic compounds, particularly in drug design and development.

One of the key areas where 3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol has shown promise is in its potential as a lead compound for therapeutic agents. Researchers have explored its ability to inhibit certain enzymes and receptors, which could be pivotal in treating diseases such as cancer and neurodegenerative disorders. For instance, a study published in 2023 demonstrated that this compound exhibits selective inhibition of histone deacetylases (HDACs), which are enzymes implicated in gene regulation and cancer progression.

In addition to its pharmacological applications, 3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol has also been investigated for its role in materials science. Its unique electronic properties make it a candidate for use in organic electronics, particularly in the development of semiconducting materials for flexible electronics and sensors. Recent advancements in this area have leveraged the compound's ability to form self-assembled monolayers, which are essential for creating high-performance electronic devices.

The synthesis of 3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol typically involves multi-step organic reactions, including nucleophilic aromatic substitution and coupling reactions. These methods have been optimized over the years to improve yield and purity, making the compound more accessible for research purposes. Moreover, green chemistry approaches have been adopted to minimize environmental impact during its production.

From an analytical standpoint, the characterization of 3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol has been enhanced by advanced spectroscopic techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. These techniques provide detailed insights into the compound's molecular structure and stability under various conditions.

In conclusion, 3-Bromo-5-(4-chloro-2-methoxyphenyl)phenol, with its CAS number 1261989-57-4, stands out as a versatile compound with diverse applications across multiple scientific disciplines. Its unique chemical properties, combined with recent research breakthroughs, position it as a valuable tool in both academic research and industrial development.

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