Cas no 1758-62-9 (Pyrazine-d4)

Pyrazine-d4 (C4D4N2) is a deuterated analog of pyrazine, where four hydrogen atoms are replaced with deuterium. This isotopically labeled compound is widely used as an internal standard in mass spectrometry and NMR spectroscopy, ensuring precise quantification and structural analysis in analytical chemistry. Its high isotopic purity (>98% D) and chemical stability make it particularly valuable for metabolic studies, reaction mechanisms, and isotope dilution techniques. Pyrazine-d4 maintains the same chemical properties as its non-deuterated counterpart while providing distinct spectral signatures, facilitating accurate tracking in complex matrices. Its applications span pharmaceuticals, agrochemicals, and materials science research.
Pyrazine-d4 structure
Pyrazine-d4 structure
Product Name:Pyrazine-d4
CAS No:1758-62-9
MF:C4H4N2
MW:84.1126070022583
CID:118053
Update Time:2025-08-03

Pyrazine-d4 Chemical and Physical Properties

Names and Identifiers

    • Pyrazine-2,3,5,6-d4
    • Pyrazine-d4
    • (2)H4-pyrazine
    • [D4]pyrazine
    • < 2H4> pyrazine
    • 340456_ALDRICH
    • I14-46206
    • pyrazole-d4
    • tetradeuterio-pyrazine
    • Deuterated pyrazine
    • 2,3,5,6-tetradeuteriopyrazine
    • pyrazine-d4,98atom%d
    • Inchi: 1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H/i1D,2D,3D,4D
    • InChI Key: KYQCOXFCLRTKLS-RHQRLBAQSA-N
    • SMILES: N1C([2H])=C([2H])N=C([2H])C=1[2H]

Computed Properties

  • Exact Mass: 88.08768
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 26.5
  • 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: nothing
  • XLogP3: nothing

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 55-57?°C(lit.)
  • Boiling Point: 116?°C(lit.)
  • Flash Point: 132?°F
  • PSA: 25.78
  • Solubility: Not determined

Pyrazine-d4 Security Information

  • Hazardous Material transportation number:UN 1325 4.1/PG 3
  • WGK Germany:3
  • Hazard Category Code: 11-36/37/38
  • Safety Instruction: 16-26-36
  • Hazardous Material Identification: F Xi

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Pyrazine-d4 Related Literature

Additional information on Pyrazine-d4

Pyrazine-d4: A Comprehensive Overview

Pyrazine-d4, also known as deuterated pyrazine, is a chemical compound with the CAS number 1758-62-9. It is a deuterated version of pyrazine, a heterocyclic aromatic compound with two nitrogen atoms in its six-membered ring structure. The "d4" designation indicates that four of the hydrogen atoms in the molecule have been replaced with deuterium atoms, a stable isotope of hydrogen. This substitution makes Pyrazine-d4 particularly useful in various scientific and industrial applications, especially in fields requiring precise chemical analysis and isotopic labeling.

The synthesis of Pyrazine-d4 involves advanced chemical processes that ensure high purity and isotopic enrichment. Recent advancements in synthetic methodologies have made it possible to produce this compound with exceptional consistency and quality. Researchers have explored novel routes to synthesize Pyrazine-d4, leveraging catalytic hydrogenation and other deuterium exchange techniques. These methods not only enhance the efficiency of production but also minimize environmental impact, aligning with current sustainability trends in the chemical industry.

Pyrazine-d4 finds extensive use in nuclear magnetic resonance (NMR) spectroscopy as a reference compound for determining the chemical shift values of other compounds. Its unique isotopic composition provides distinct signals in NMR spectra, making it invaluable for accurate spectral analysis. Furthermore, Pyrazine-d4 serves as a precursor in the synthesis of various deuterated pharmaceuticals and agrochemicals, where isotopic labeling is essential for studying metabolic pathways and bioavailability.

In recent years, there has been growing interest in the application of Pyrazine-d4 in materials science. Scientists have utilized this compound as a building block for constructing advanced materials with tailored electronic properties. For instance, studies have shown that incorporating Pyrazine-d4 into metal-organic frameworks (MOFs) can enhance their stability and catalytic activity. These findings underscore the potential of Pyrazine-d4 in developing next-generation materials for energy storage and conversion.

The environmental impact of Pyrazine-d4 has also come under scrutiny in recent research. Studies have investigated its biodegradation patterns and toxicity profiles to assess its safety for industrial use. Results indicate that Pyrazine-d4, like its non-deuterated counterpart, exhibits low toxicity to aquatic organisms under controlled conditions. However, further research is needed to fully understand its long-term ecological effects and ensure responsible use.

In conclusion, Pyrazine-d4, with its unique isotopic composition and versatile applications, continues to play a pivotal role across multiple scientific disciplines. From analytical chemistry to materials science, this compound demonstrates remarkable potential for advancing both fundamental research and industrial innovation. As new applications emerge and synthetic methods improve, the significance of Pyrazine-d4 strong>

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