Cas no 71589-26-9 (1,4-Benzene-2,3,5,6-d4-diol-d2)

1,4-Benzene-2,3,5,6-d4-diol-d2 structure
71589-26-9 structure
Product Name:1,4-Benzene-2,3,5,6-d4-diol-d2
CAS No:71589-26-9
MF:C6H6O2
MW:116.147612094879
MDL:MFCD00144462
CID:562784
Update Time:2025-10-29

1,4-Benzene-2,3,5,6-d4-diol-d2 Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzene-2,3,5,6-d4-diol-d2
    • Hydroquinone-d6
    • 1,4-Dihydroxybenzene-d6
    • 1,4-hydroquinone-d6
    • 2,3,5,6,O,O'-hexadeuterio-benzene-1,4-diol
    • hexadeuterio-hydroquinone
    • hyroquinone-d6
    • perdeuterated hydroquinone
    • perdeuteriohydroquinone
    • MDL: MFCD00144462
    • Inchi: 1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H/i1D,2D,3D,4D/hD2
    • InChI Key: QIGBRXMKCJKVMJ-UDDMDDBKSA-N
    • SMILES: O([2H])C1C([2H])=C([2H])C(=C([2H])C=1[2H])O[2H]

Computed Properties

  • Exact Mass: 116.07400
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 54.9
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing

Experimental Properties

  • Melting Point: 174-177?°C(lit.)
  • Boiling Point: 285?°C(lit.)
  • PSA: 40.46000
  • LogP: 1.09780

1,4-Benzene-2,3,5,6-d4-diol-d2 Security Information

1,4-Benzene-2,3,5,6-d4-diol-d2 Pricemore >>

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1,4-Benzene-2,3,5,6-d4-diol-d2 Production Method

Additional information on 1,4-Benzene-2,3,5,6-d4-diol-d2

Comprehensive Guide to 1,4-Benzene-2,3,5,6-d4-diol-d2 (CAS No. 71589-26-9): Properties, Applications, and Market Insights

1,4-Benzene-2,3,5,6-d4-diol-d2 (CAS No. 71589-26-9) is a deuterated derivative of hydroquinone, a compound widely used in various industrial and research applications. This isotopically labeled compound is particularly valuable in NMR spectroscopy, mass spectrometry, and kinetic studies, where precise tracking of molecular behavior is essential. The incorporation of deuterium atoms enhances the compound's utility in these advanced analytical techniques.

The chemical structure of 1,4-Benzene-2,3,5,6-d4-diol-d2 features deuterium atoms at specific positions, replacing hydrogen atoms in the benzene ring and hydroxyl groups. This modification not only improves its performance in spectroscopic applications but also makes it a sought-after compound in pharmaceutical research and material science. Researchers often use it to study reaction mechanisms, metabolic pathways, and polymer dynamics.

One of the most significant applications of 1,4-Benzene-2,3,5,6-d4-diol-d2 is in the field of drug development. Deuterated compounds are increasingly popular in the pharmaceutical industry due to their potential to improve drug efficacy and reduce side effects. This compound serves as a building block for synthesizing deuterated analogs of bioactive molecules, which can exhibit enhanced metabolic stability and pharmacokinetic profiles.

In addition to its pharmaceutical applications, 1,4-Benzene-2,3,5,6-d4-diol-d2 is also used in organic electronics and polymer chemistry. Its ability to form stable, deuterated polymers makes it valuable for creating materials with unique properties, such as improved thermal stability and reduced vibrational interference in optical devices. These characteristics are particularly relevant in the development of next-generation OLEDs and solar cells.

The market for deuterated compounds like 1,4-Benzene-2,3,5,6-d4-diol-d2 is growing rapidly, driven by increasing demand from the pharmaceutical and materials science sectors. Companies specializing in isotopic labeling are investing in advanced synthesis techniques to meet this demand, ensuring high purity and consistent quality. Researchers and manufacturers alike are exploring new ways to leverage the unique properties of deuterated compounds for innovative applications.

For those working with 1,4-Benzene-2,3,5,6-d4-diol-d2, proper handling and storage are essential to maintain its stability and performance. The compound should be stored in a cool, dry environment, away from light and moisture, to prevent degradation. Safety data sheets (SDS) provide detailed guidelines for handling, ensuring compliance with laboratory safety standards.

As the scientific community continues to uncover new applications for deuterated compounds, 1,4-Benzene-2,3,5,6-d4-diol-d2 remains a critical tool for advancing research in multiple fields. Its versatility and unique properties make it indispensable for studies requiring precise molecular tracking and analysis. Whether in drug development, materials science, or analytical chemistry, this compound offers unparalleled opportunities for innovation.

In conclusion, 1,4-Benzene-2,3,5,6-d4-diol-d2 (CAS No. 71589-26-9) is a highly specialized compound with broad applications in modern science and industry. Its role in NMR spectroscopy, pharmaceutical research, and advanced materials underscores its importance in cutting-edge research. As demand for deuterated compounds grows, this molecule will undoubtedly play a pivotal role in shaping the future of scientific discovery and technological advancement.

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