Cas no 93951-83-8 (4-Bromophenyl Phenyl-d5 Ether)

4-Bromophenyl Phenyl-d5 Ether is a deuterated aromatic ether compound, where five hydrogen atoms on the phenyl ring are replaced with deuterium (D). This isotopic labeling enhances its utility in NMR spectroscopy and mass spectrometry studies, providing improved signal resolution and reduced interference from protonated species. The bromine substituent offers a reactive site for further functionalization, making it valuable in synthetic chemistry applications, such as cross-coupling reactions. Its stable isotopic purity ensures reliable performance in mechanistic and kinetic research. The compound is particularly useful in pharmaceutical and materials science research where precise tracking of molecular interactions or degradation pathways is required.
4-Bromophenyl Phenyl-d5 Ether structure
4-Bromophenyl Phenyl-d5 Ether structure
Product Name:4-Bromophenyl Phenyl-d5 Ether
CAS No:93951-83-8
MF:C12H9BrO
MW:254.134071111679
CID:797478
PubChem ID:16217402
Update Time:2025-05-19

4-Bromophenyl Phenyl-d5 Ether Chemical and Physical Properties

Names and Identifiers

    • Benzene-d5,(4-bromophenoxy)- (9CI)
    • 1-Bromo-4-[(~2~H_5_)phenyloxy]benzene
    • 4-BROMOPHENYL PHENYL ETHER (PHENYL-D5)
    • 4-Bromophenyl phenyl-d5 ether
    • DTXSID30584368
    • D98594
    • 1-(4-bromophenoxy)(?H?)benzene
    • 93951-83-8
    • 4-Bromophenyl phenyl-d5 ether, 98 atom % D
    • CS-0564507
    • 1-Bromo-4-phenoxybenzene-d5
    • 1-(4-bromophenoxy)-2,3,4,5,6-pentadeuteriobenzene
    • HY-76595S
    • 4-Bromophenyl phenyl ether(phenyl-d5)
    • 4-Bromophenyl Phenyl-d5 Ether
    • Inchi: 1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H/i1D,2D,3D,4D,5D
    • InChI Key: JDUYPUMQALQRCN-RALIUCGRSA-N
    • SMILES: BrC1C=CC(=CC=1)OC1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]

Computed Properties

  • Exact Mass: 253.01506g/mol
  • Monoisotopic Mass: 253.01506g/mol
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 158
  • 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: 4.4
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • Density: 1.451?g/mL?at 25?°C
  • Boiling Point: 305?°C(lit.)
  • Flash Point: 113?°C

4-Bromophenyl Phenyl-d5 Ether Security Information

  • Hazardous Material transportation number:UN 3082 9/PG 3
  • WGK Germany:3
  • Hazard Category Code: 50/53-43-41-22
  • Safety Instruction: 60-61-36/37/39-26
  • Hazardous Material Identification: N Xn

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Additional information on 4-Bromophenyl Phenyl-d5 Ether

Professional Introduction to Compound with CAS No. 93951-83-8 and Product Name: 4-Bromophenyl Phenyl-d5 Ether

The compound with the CAS number 93951-83-8 and the product name 4-Bromophenyl Phenyl-d5 Ether represents a significant advancement in the field of chemical biology and pharmaceutical research. This deuterated derivative of a brominated biphenyl ether has garnered considerable attention due to its unique structural properties and potential applications in various scientific domains. The introduction of deuterium atoms (denoted by "-d5") not only modifies the physical and chemical characteristics of the molecule but also enhances its utility in analytical and synthetic chemistry.

In recent years, the demand for high-purity labeled compounds has surged, particularly in the development of next-generation diagnostic tools and bioimaging agents. The 4-Bromophenyl Phenyl-d5 Ether serves as an excellent example of how isotopic labeling can be leveraged to improve the sensitivity and specificity of molecular probes. Its brominated aromatic core makes it a valuable intermediate in the synthesis of more complex molecules, including those used in neurological research and cancer therapeutics.

The structural integrity of this compound is further reinforced by its deuterated version, which minimizes unwanted side reactions during synthesis. This feature is particularly crucial in pharmaceutical applications where high yields and purity are non-negotiable. The bromophenyl group provides a versatile handle for further functionalization, enabling chemists to tailor the molecule for specific biological targets. For instance, it has been employed in the development of kinase inhibitors, where precise control over reactivity is essential.

Recent studies have highlighted the role of brominated biphenyl ethers in modulating transcriptional regulation and signal transduction pathways. The introduction of deuterium atoms into these systems has allowed researchers to better understand metabolic fluxes and enzyme kinetics. The 4-Bromophenyl Phenyl-d5 Ether has been used as a reference standard in NMR spectroscopy, providing a benchmark for comparing the behavior of related compounds under identical conditions. This capability is invaluable for drug discovery pipelines, where rapid and accurate characterization of new molecules is paramount.

The compound's stability under various experimental conditions has also made it a popular choice for high-throughput screening (HTS) assays. Its ability to withstand multiple rounds of synthesis without degradation ensures consistent results across different experiments. This reliability has been particularly beneficial in academic research settings, where reproducibility is often a challenge due to limited resources or expertise.

From a synthetic chemistry perspective, the 4-Bromophenyl Phenyl-d5 Ether exemplifies the power of isotopic labeling in streamlining synthetic routes. The deuterated version allows for selective deuteration at specific positions, minimizing byproduct formation and improving overall efficiency. This approach aligns with the growing emphasis on green chemistry principles, where waste reduction and energy conservation are prioritized. The compound's compatibility with standard laboratory equipment further enhances its appeal as a building block for more complex molecules.

In conclusion, the compound with CAS number 93951-83-8 and product name 4-Bromophenyl Phenyl-d5 Ether represents a cornerstone in modern chemical biology research. Its unique properties make it an indispensable tool for scientists working on cutting-edge applications ranging from diagnostics to drug development. As research methodologies continue to evolve, this compound is poised to play an even greater role in advancing our understanding of biological systems at the molecular level.

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