Cas no 126840-28-6 (4-Hydroxybiphenyl-d9 (rings-d9))

4-Hydroxybiphenyl-d9 (rings-d9) is a deuterated analog of 4-hydroxybiphenyl, where all nine hydrogen atoms on the biphenyl rings are replaced with deuterium. This isotopic labeling enhances the compound's utility in mass spectrometry and NMR studies, providing improved signal resolution and reduced interference in analytical applications. Its high isotopic purity (>98%) ensures reliable performance in quantitative and mechanistic research, particularly in pharmacokinetic and metabolic studies. The deuterium substitution also increases molecular stability, making it valuable for tracing and degradation pathway investigations. This compound is commonly employed as an internal standard or reference material in environmental, pharmaceutical, and biochemical research, ensuring precise and reproducible results.
4-Hydroxybiphenyl-d9 (rings-d9) structure
126840-28-6 structure
Product Name:4-Hydroxybiphenyl-d9 (rings-d9)
CAS No:126840-28-6
MF:C12H10O
MW:179.262658596039
CID:103323
PubChem ID:10607442
Update Time:2025-10-29

4-Hydroxybiphenyl-d9 (rings-d9) Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl-2,2',3,3',4',5,5',6,6'-d9]-4-ol(9CI)
    • 4-HYDROXYDIPHENYL-D9 (RINGS-D9)
    • 4-HYDROXYDIPHENYL-D9
    • 4-Hydroxybiphenyl-d9
    • D98736
    • 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenol
    • HY-Y0162S1
    • SCHEMBL13916477
    • [1,1'-Biphenyl]-4-ol-d9
    • 126840-28-6
    • CS-0568761
    • 4-HYDROXYBIPHENYL-D9 (RINGS-D9)
    • 4-Hydroxybiphenyl-d9 (rings-d9)
    • Inchi: 1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
    • InChI Key: YXVFYQXJAXKLAK-LOIXRAQWSA-N
    • SMILES: OC1C([2H])=C([2H])C(=C([2H])C=1[2H])C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]

Computed Properties

  • Exact Mass: 188.18606
  • Monoisotopic Mass: 179.129655652g/mol
  • Isotope Atom Count: 9
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 141
  • 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: 3.2
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

4-Hydroxybiphenyl-d9 (rings-d9) Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
P336136-2.5mg
4-Hydroxybiphenyl-d9 (rings-d9)
126840-28-6
2.5mg
$ 64.00 2023-09-06
TRC
P336136-5mg
4-Hydroxybiphenyl-d9 (rings-d9)
126840-28-6
5mg
$ 87.00 2023-09-06
TRC
P336136-25mg
4-Hydroxybiphenyl-d9 (rings-d9)
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25mg
$ 126.00 2023-09-06

Additional information on 4-Hydroxybiphenyl-d9 (rings-d9)

Introduction to 4-Hydroxybiphenyl-d9 (rings-d9) and Its Significance in Modern Chemical Research

The compound with the CAS number 126840-28-6, known as 4-Hydroxybiphenyl-d9 (rings-d9), represents a specialized derivative of biphenyl that has garnered significant attention in the field of chemical biology and pharmaceutical research. This deuterated version of 4-hydroxybiphenyl is particularly valuable due to its stable isotope labeling, which enhances its utility in various analytical and synthetic applications. The introduction of deuterium atoms at specific positions in the aromatic rings not only improves the compound's resistance to degradation but also aids in tracing metabolic pathways and understanding molecular interactions with greater precision.

In recent years, the demand for high-purity labeled compounds has surged, driven by advancements in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy techniques. 4-Hydroxybiphenyl-d9 (rings-d9) serves as an exemplary tool for researchers aiming to unravel the complexities of biological systems. Its applications span across drug metabolism studies, environmental monitoring, and the development of novel analytical methodologies. The unique isotopic signature provided by the deuterated rings allows for unambiguous identification and quantification of the compound in complex mixtures, making it an indispensable asset in both academic and industrial laboratories.

The structural integrity of 4-Hydroxybiphenyl-d9 (rings-d9) is further complemented by its chemical stability, which is a critical factor in long-term storage and repeated use in experimental protocols. This stability ensures that the compound remains consistent in its physical and chemical properties, thereby maintaining the reliability of experimental results. Moreover, its compatibility with a wide range of solvents and reaction conditions broadens its applicability in synthetic chemistry. Researchers have leveraged this compound to develop new synthetic routes for complex organic molecules, demonstrating its versatility beyond mere analytical applications.

Recent studies have highlighted the role of 4-Hydroxybiphenyl-d9 (rings-d9) in investigating the pharmacokinetic profiles of biphenyl-based pharmaceuticals. By incorporating deuterium atoms into the molecular structure, researchers can gain insights into how these drugs are metabolized within living systems. This information is pivotal for optimizing drug formulations and improving therapeutic outcomes. For instance, studies have shown that deuterated analogs can exhibit altered metabolic pathways compared to their non-deuterated counterparts, offering a strategic advantage in drug design.

The environmental chemistry community has also benefited from the use of 4-Hydroxybiphenyl-d9 (rings-d9). Biphenyl derivatives are known to be persistent pollutants in certain ecosystems, and understanding their degradation pathways is crucial for environmental remediation efforts. The deuterated version provides a means to track these compounds over time, helping scientists assess the effectiveness of cleanup strategies. Additionally, its use in developing biodegradation assays has opened new avenues for green chemistry initiatives.

From a synthetic chemistry perspective, 4-Hydroxybiphenyl-d9 (rings-d9) serves as a valuable intermediate in constructing more complex molecules. Its well-defined reactivity allows chemists to introduce functional groups at specific positions while maintaining high yields and purity. This has been particularly useful in the synthesis of advanced materials and specialty chemicals where precise control over molecular structure is essential. The ability to label specific regions of the biphenyl core with deuterium atoms also facilitates structural elucidation through advanced NMR techniques.

The pharmaceutical industry has taken note of these advancements, integrating 4-Hydroxybiphenyl-d9 (rings-d9) into preclinical testing protocols for new drug candidates. Its use as an internal standard helps ensure accurate quantification during various stages of drug development, from initial screening to final regulatory submissions. Furthermore, its incorporation into drug formulations has been explored as a means to enhance bioavailability and reduce off-target effects.

As research methodologies continue to evolve, the demand for specialized labeled compounds like 4-Hydroxybiphenyl-d9 (rings-d9) is expected to grow exponentially. The integration of cutting-edge technologies such as single-cell analysis and high-resolution imaging necessitates highly sensitive detection methods, which rely on isotopically labeled compounds for optimal performance. This trend underscores the compound's importance not only as a research tool but also as a foundational element in next-generation analytical platforms.

In conclusion, 4-Hydroxybiphenyl-d9 (rings-d9) represents a cornerstone in modern chemical research due to its multifaceted applications across disciplines such as pharmaceuticals, environmental science, and materials chemistry. Its stable isotopic labeling enhances analytical precision while maintaining structural integrity, making it an indispensable resource for scientists worldwide. As research continues to push the boundaries of what is possible at the molecular level, compounds like this will undoubtedly play a pivotal role in shaping future scientific discoveries.

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