Cas no 446254-32-6 (1,2,3,4-Tetrabromo-5-phenoxybenzene)

1,2,3,4-Tetrabromo-5-phenoxybenzene is a brominated aromatic compound characterized by its high thermal stability and flame-retardant properties. The presence of four bromine atoms enhances its effectiveness as a flame retardant, making it suitable for applications in polymers, textiles, and electronic materials. Its molecular structure, incorporating a phenoxy group, contributes to compatibility with various organic matrices, facilitating uniform dispersion in composite materials. The compound exhibits low volatility and good resistance to degradation under processing conditions, ensuring consistent performance in high-temperature environments. Its efficacy as a flame retardant is further supported by its ability to inhibit combustion through radical scavenging mechanisms. These properties make it a reliable choice for industrial applications requiring stringent fire safety standards.
1,2,3,4-Tetrabromo-5-phenoxybenzene structure
446254-32-6 structure
Product Name:1,2,3,4-Tetrabromo-5-phenoxybenzene
CAS No:446254-32-6
MF:C12H6Br4O
MW:485.791440486908
CID:3166401
PubChem ID:13766701
Update Time:2025-10-31

1,2,3,4-Tetrabromo-5-phenoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 2,3,4,5-Tetrabromodiphenyl ether
    • SCHEMBL755527
    • DTXSID90879883
    • 1,2,3,4-tetrabromo-5-phenoxybenzene
    • UNII-9RVE60Z61L
    • Q27273004
    • 446254-32-6
    • tetrabromo diphenyl ether
    • Benzene, 1,2,3,4-tetrabromo-5-phenoxy-
    • PBDE 61
    • BDE-61
    • 9RVE60Z61L
    • 1,2,3,4-Tetrabromo-5-phenoxybenzene
    • Inchi: 1S/C12H6Br4O/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6H
    • InChI Key: NDRSXNBQWAOQPP-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C(=CC=1OC1C=CC=CC=1)Br)Br)Br

Computed Properties

  • Exact Mass: 485.71112Da
  • Monoisotopic Mass: 481.71522Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 245
  • 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: 6.2
  • Topological Polar Surface Area: 9.2?2

1,2,3,4-Tetrabromo-5-phenoxybenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
T291354-1mg
1,2,3,4-Tetrabromo-5-phenoxybenzene
446254-32-6
1mg
$190.00 2023-05-17
TRC
T291354-10mg
1,2,3,4-Tetrabromo-5-phenoxybenzene
446254-32-6
10mg
$1499.00 2023-05-17

Additional information on 1,2,3,4-Tetrabromo-5-phenoxybenzene

Chemical Profile of 1,2,3,4-Tetrabromo-5-phenoxybenzene (CAS No. 446254-32-6)

1,2,3,4-Tetrabromo-5-phenoxybenzene, identified by the Chemical Abstracts Service Number (CAS No.) 446254-32-6, is a specialized organic compound that has garnered attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential applications. This compound belongs to the class of brominated phenolic derivatives, characterized by a benzene ring substituted with bromine atoms at the 1, 2, 3, and 4 positions, and a phenoxy group at the 5 position. Such structural motifs are often explored for their interactions with biological targets and their suitability in synthetic chemistry.

The synthesis of 1,2,3,4-Tetrabromo-5-phenoxybenzene involves multi-step organic reactions that require precise control over reaction conditions to achieve high yield and purity. The introduction of multiple bromine atoms into the aromatic ring enhances the compound's reactivity, making it a valuable intermediate in the preparation of more complex molecules. The phenoxy group, on the other hand, provides a polar moiety that can influence solubility and binding affinity in biological systems.

In recent years, there has been a growing interest in brominated aromatic compounds due to their diverse applications in medicinal chemistry. The presence of multiple bromine atoms can serve as a handle for further functionalization through cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings. These reactions are pivotal in constructing biaryl structures, which are prevalent in many bioactive molecules. For instance, derivatives of 1,2,3,4-Tetrabromo-5-phenoxybenzene have been explored as precursors for developing novel therapeutic agents targeting various diseases.

One of the most compelling aspects of 1,2,3,4-Tetrabromo-5-phenoxybenzene is its potential as a scaffold for drug discovery. The bromine atoms can be selectively removed or replaced with other functional groups to tailor the compound's properties for specific applications. Additionally, the phenoxy group can interact with biological targets through hydrogen bonding or hydrophobic interactions, making it an attractive feature for designing molecules with enhanced binding affinity.

Recent studies have highlighted the role of brominated phenols in modulating biological pathways related to inflammation and cancer. For example, certain derivatives of brominated phenols have shown promising anti-inflammatory properties by inhibiting key enzymes involved in the inflammatory response. The structural features of 1,2,3,4-Tetrabromo-5-phenoxybenzene, including its halogen-rich core and polar phenoxy group, make it a candidate for further exploration in this area.

The compound's utility extends beyond pharmaceutical applications; it also finds relevance in materials science. Brominated aromatic compounds are known for their electron-withdrawing properties and thermal stability, which make them suitable for use in organic electronic devices such as OLEDs (organic light-emitting diodes) and semiconductors. The synthesis of 1,2,3,4-Tetrabromo-5-phenoxybenzene could potentially provide insights into developing new materials with improved performance characteristics.

In conclusion,1,2,3,4-Tetrabromo-5-phenoxybenzene (CAS No. 446254-32-6) represents a fascinating compound with diverse potential applications in chemical biology and materials science. Its unique structural features and reactivity make it a valuable tool for researchers seeking to develop novel therapeutic agents or advanced materials. As synthetic methodologies continue to evolve,the exploration of such compounds will undoubtedly yield new insights and innovations.

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