Cas no 80862-68-6 (Cyclopentane-d9)

Cyclopentane-d9 (C5D10) is a deuterated analog of cyclopentane, where all hydrogen atoms are replaced by deuterium. This stable isotopologue is widely used as a solvent and internal standard in nuclear magnetic resonance (NMR) spectroscopy, offering minimal interference with proton signals due to its lack of residual protons. Its high isotopic purity (>98% D) ensures reliable performance in kinetic studies, mechanistic research, and spectroscopic applications. Cyclopentane-d9 is particularly valuable in organic and pharmaceutical chemistry for tracing reaction pathways and analyzing molecular structures. The compound's inertness and predictable behavior under experimental conditions make it a preferred choice for precise, reproducible results in deuterium labeling and NMR-based investigations.
Cyclopentane-d9 structure
Cyclopentane-d9 structure
Product Name:Cyclopentane-d9
CAS No:80862-68-6
MF:C5H10
MW:79.1883568763733
CID:707853
PubChem ID:16217393
Update Time:2025-05-22

Cyclopentane-d9 Chemical and Physical Properties

Names and Identifiers

    • Cyclopentane-d9(6CI,9CI)
    • CYCLOPENTANE-D9
    • 1,1,2,2,3,3,4,4,5-nonadeuteriocyclopentane
    • (?H?)cyclopentane
    • 80862-68-6
    • (1,1,2,2,3,3,4,4,5-~2~H_9_)Cyclopentane
    • DTXSID10584361
    • D98494
    • Cyclopentane-d9, 98 atom % D
    • Cyclopentane-d9
    • Inchi: 1S/C5H10/c1-2-4-5-3-1/h1-5H2/i1D,2D2,3D2,4D2,5D2
    • InChI Key: RGSFGYAAUTVSQA-LOFGRQECSA-N
    • SMILES: C1([2H])([2H])C([2H])([2H])C([2H])C([2H])([2H])C1([2H])[2H]

Computed Properties

  • Exact Mass: 79.134741032g/mol
  • Monoisotopic Mass: 79.134741032g/mol
  • Isotope Atom Count: 9
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 0
  • Complexity: 11.6
  • 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
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.846?g/mL?at 25?°C
  • Melting Point: -94?°C(lit.)
  • Boiling Point: 50?°C(lit.)
  • Flash Point: -35?°F

Cyclopentane-d9 Security Information

  • Hazardous Material transportation number:UN 1146 3/PG 2
  • WGK Germany:2
  • Hazard Category Code: 11-52/53
  • Safety Instruction: 9-16-29-33-61
  • Hazardous Material Identification: F

Cyclopentane-d9 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
C840835-5mg
Cyclopentane-d9
80862-68-6
5mg
$ 64.00 2023-09-08
TRC
C840835-10mg
Cyclopentane-d9
80862-68-6
10mg
$ 81.00 2023-09-08
TRC
C840835-50mg
Cyclopentane-d9
80862-68-6
50mg
$167.00 2023-05-18
1PlusChem
1P00G3XM-500mg
CYCLOPENTANE-D9
80862-68-6
500mg
$866.00 2025-03-14
A2B Chem LLC
AH50794-250mg
CYCLOPENTANE-D9
80862-68-6
250mg
$556.00 2024-04-19
A2B Chem LLC
AH50794-500mg
CYCLOPENTANE-D9
80862-68-6
500mg
$833.00 2024-04-19
1PlusChem
1P00G3XM-250mg
CYCLOPENTANE-D9
80862-68-6
250mg
$556.00 2025-02-27

Additional information on Cyclopentane-d9

Cyclopentane-d9: A Comprehensive Overview

Cyclopentane-d9, also known by its CAS No. 80862-68-6, is a deuterated cyclopentane compound that has gained significant attention in various scientific and industrial applications. This compound is a derivative of cyclopentane, where nine of the hydrogen atoms are replaced with deuterium, a stable isotope of hydrogen. The substitution of hydrogen with deuterium imparts unique physical and chemical properties to Cyclopentane-d9, making it invaluable in fields such as nuclear magnetic resonance (NMR) spectroscopy, material science, and quantum chemistry research.

Cyclopentane-d9 has been extensively studied for its role in NMR spectroscopy. Deuterium substitution significantly reduces the splitting patterns observed in proton NMR spectra, allowing for clearer and more precise analysis of complex molecular structures. This property has made Cyclopentane-d9 a preferred choice for researchers working on structure elucidation and reaction mechanism studies. Recent advancements in NMR techniques have further enhanced the utility of Cyclopentane-d9, enabling researchers to probe deeper into the electronic environments of molecules with unprecedented accuracy.

In addition to its analytical applications, Cyclopentane-d9 has found niche applications in material science. Its unique isotopic composition makes it an ideal candidate for studying isotopic effects on material properties. For instance, researchers have utilized Cyclopentane-d9 to investigate the impact of deuterium substitution on the mechanical and thermal properties of polymers. These studies have provided valuable insights into the role of isotopes in modulating material behavior, paving the way for the development of novel materials with tailored properties.

The synthesis of Cyclopentane-d9 involves a multi-step process that requires precise control over isotopic substitution. Recent research has focused on optimizing the synthesis methods to achieve higher yields and purities. One notable approach involves the use of palladium-catalyzed coupling reactions under deuterated conditions. This method not only ensures high isotopic purity but also minimizes side reactions, making it a robust route for large-scale production.

From a quantum chemistry perspective, Cyclopentane-d9 serves as an excellent model system for studying isotopic effects on molecular vibrations and electronic transitions. By comparing the spectroscopic data of Cyclopentane-d9 with its protiated counterpart, researchers can gain insights into the subtle differences introduced by deuterium substitution. These findings have implications not only in fundamental chemistry but also in areas such as drug design and catalysis, where precise control over molecular properties is crucial.

Moreover, Cyclopentane-d9 has been employed in neutron scattering experiments to study molecular dynamics at atomic resolution. The high sensitivity of neutrons to deuterium allows researchers to track the motion of individual atoms within molecules with remarkable precision. This capability has been instrumental in advancing our understanding of dynamic processes in complex systems, including liquid crystals and soft matter.

In conclusion, Cyclopentane-d9 (CAS No. 80862-68-6) stands out as a versatile compound with a wide range of applications across multiple disciplines. Its unique isotopic composition makes it an invaluable tool for researchers seeking to unravel the intricacies of molecular behavior at both macroscopic and microscopic levels. As scientific research continues to evolve, Cyclopentane-d9 is poised to play an even more prominent role in advancing our understanding of the physical and chemical world.

Recommended suppliers
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited