Cas no 137219-34-2 (9-fluorenone-d8)

9-Fluorenone-d8 is a deuterated analog of 9-fluorenone, where eight hydrogen atoms are replaced with deuterium. This isotopic labeling enhances its utility in mass spectrometry and NMR spectroscopy, providing improved signal resolution and reduced interference in analytical applications. The compound is particularly valuable in kinetic studies, metabolic research, and tracer experiments due to its isotopic stability. Its high chemical purity and well-defined deuteration pattern ensure reliable performance in quantitative analyses. 9-Fluorenone-d8 is commonly employed in pharmaceutical and environmental research, where precise detection and tracking of molecular interactions are critical. The deuterated form also minimizes metabolic degradation, making it suitable for long-term studies.
9-fluorenone-d8 structure
9-fluorenone-d8 structure
Product Name:9-fluorenone-d8
CAS No:137219-34-2
MF:C13H8O
MW:188.251317024231
CID:901653
PubChem ID:90469885
Update Time:2025-06-12

9-fluorenone-d8 Chemical and Physical Properties

Names and Identifiers

    • 9-fluorenone-d8
    • 1,2,3,4,5,6,7,8-octachlorodibenzodioxin
    • 1,2,3,4,5,6,7,8-octachlorodibenzo-p-dioxin
    • 1,2,3,4,5,6,7,8-octadeuterio-fluoren-9-one
    • 1,2,3,4,6,7,8,9-OCDD
    • 1,2,3,4,6,7,8,9-octachlorodi
    • Dibenzo-p-dioxin, octachloro-
    • NCI-C03678
    • octachlorinated dibenzodioxin
    • Octachlorodibenzo-4-dioxin
    • Octachlorodibenzodioxin
    • octa-chlorodibenzo-p-dioxin
    • OCTACHLORODIBENZO-p-DIOXIN
    • octachlorooxanthrene
    • Octadeuterio-fluoren-9-on
    • octadeuterio-fluoren-9-one
    • 137219-34-2
    • (?H?)-9H-fluoren-9-one
    • CS-0564524
    • 9H-fluoren-9-one-d8
    • HY-32181S
    • Fluorenone-d8
    • DB-318506
    • 9H-Fluoren-9-one-1,2,3,4,5,6,7,8-d8
    • D98740
    • DTXSID60894068
    • 1,2,3,4,5,6,7,8-Octadeuteriofluoren-9-one
    • Inchi: 1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
    • InChI Key: YLQWCDOCJODRMT-PGRXLJNUSA-N
    • SMILES: O=C1C2C([2H])=C([2H])C([2H])=C([2H])C=2C2C([2H])=C([2H])C([2H])=C([2H])C=21

Computed Properties

  • Exact Mass: 196.15786
  • Monoisotopic Mass: 188.107728842g/mol
  • Isotope Atom Count: 8
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 222
  • 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: 3.6
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 83-85°C
  • Boiling Point: 341.5±0.0 °C at 760 mmHg
  • Flash Point: 144.1±13.7 °C
  • Solubility: Chloroform (Slightly), Methanol (Slightly)
  • PSA: 17.07
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

9-fluorenone-d8 Security Information

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Additional information on 9-fluorenone-d8

Introduction to 9-Fluorenone-d8 (CAS No. 137219-34-2)

9-Fluorenone-d8, with the CAS number 137219-34-2, is a deuterated derivative of 9-fluorenone, a compound that has gained significant attention in various scientific and industrial applications. Deuterated compounds, where hydrogen atoms are replaced by deuterium (a stable isotope of hydrogen), are particularly valuable in nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and other analytical techniques due to their enhanced stability and reduced signal broadening.

The molecular structure of 9-Fluorenone-d8 consists of a fluorene backbone with a ketone group at the 9-position, and all eight hydrogen atoms in the fluorene ring are replaced by deuterium. This unique structure confers several advantages, including improved solubility, enhanced chemical stability, and reduced metabolic degradation. These properties make 9-Fluorenone-d8 an ideal candidate for use in a wide range of research and industrial applications.

In the field of NMR spectroscopy, deuterated compounds like 9-Fluorenone-d8 are essential for obtaining high-resolution spectra. The presence of deuterium atoms reduces the signal broadening caused by hydrogen exchange, leading to sharper and more distinct peaks. This is particularly useful in the study of complex organic molecules and biomolecules, where precise structural information is crucial. Recent studies have demonstrated the utility of deuterated compounds in elucidating the conformational dynamics of proteins and nucleic acids, providing valuable insights into their functional mechanisms.

Beyond NMR spectroscopy, 9-Fluorenone-d8 has found applications in mass spectrometry (MS) and liquid chromatography-mass spectrometry (LC-MS). The increased mass-to-charge ratio due to deuterium substitution allows for better differentiation between target compounds and potential interferences. This is particularly important in metabolomics studies, where the accurate identification and quantification of metabolites are essential for understanding biological processes and disease states.

In the pharmaceutical industry, deuterated compounds are increasingly being explored for their potential to improve drug efficacy and safety. The enhanced stability of deuterated drugs can lead to longer half-lives, reduced toxicity, and improved pharmacokinetic properties. For example, recent research has shown that deuterated analogs of certain drugs exhibit enhanced therapeutic effects while minimizing side effects. While 9-Fluorenone-d8 itself may not be a direct drug candidate, its properties make it a valuable tool for studying drug metabolism and developing new therapeutic agents.

The synthesis of 9-Fluorenone-d8 involves several steps, including the deuteration of fluorene followed by oxidation to form the ketone group. Various methods have been developed to achieve high yields and purity levels, ensuring that the final product meets the stringent requirements of research and industrial applications. Recent advancements in synthetic chemistry have led to more efficient and environmentally friendly processes, reducing the overall cost and ecological impact of producing deuterated compounds.

In addition to its analytical and pharmaceutical applications, 9-Fluorenone-d8 has potential uses in materials science. Deuterated compounds can be used as precursors for the synthesis of advanced materials with unique properties, such as luminescent materials for display technologies or photovoltaic materials for solar energy conversion. The enhanced stability and reduced degradation rates of deuterated materials make them attractive candidates for these applications.

To summarize, 9-Fluorenone-d8 (CAS No. 137219-34-2) is a versatile compound with a wide range of applications in scientific research and industrial processes. Its unique properties make it an invaluable tool in NMR spectroscopy, mass spectrometry, pharmaceutical development, and materials science. As research continues to advance in these fields, the demand for high-quality deuterated compounds like 9-Fluorenone-d8 is likely to grow, driving further innovation and discovery.

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