Date published: 2025-12-18

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Benzene-d6 (CAS 1076-43-3)

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Alternate Names:
Hexadeuterobenzene; Perdeuterobenzene
Application:
Benzene-d6 is a deuterium labeled benzene compound
CAS Number:
1076-43-3
Purity:
≥99%
Molecular Weight:
84.15
Molecular Formula:
C6D6
Supplemental Information:
This is classified as a Dangerous Good for transport and may be subject to additional shipping charges.
For Research Use Only. Not Intended for Diagnostic or Therapeutic Use.
* Refer to Certificate of Analysis for lot specific data.

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Benzene-d6 is a chemical compound extensively utilized in diverse scientific research applications. It is a derivative of the parent compound benzene, wherein all the hydrogen atoms are substituted with deuterium atoms. Benzene-d6 finds application in various scientific research domains. Notably, it serves as a reference compound in nuclear magnetic resonance (NMR) spectroscopy, offering a distinctive and easily identifiable signal. Additionally, it contributes to the exploration of the structure and dynamics of organic molecules and aids in the study of the stereochemistry of organic compounds. The precise mechanism of action of benzene-d6 is not yet fully comprehended. However, it is believed that the substitution of hydrogen atoms with deuterium atoms leads to reduced reactivity of the benzene molecule.


Benzene-d6 (CAS 1076-43-3) References

  1. Radiolysis of aqueous solutions of hydrocarbons benzene, benzene-d6, cyclohexane.  |  PHUNG, PV. and BURTON, M. 1957. Radiat Res. 7: 199-216. PMID: 13466012
  2. Doppler-free two-photon excitation spectroscopy and the Zeeman effect of the 140 1 band of the S1 1B2u
  3. Separation of benzene and deuterated benzenes by reversed-phase and recycle liquid chromatography using monolithic capillary columns.  |  Lim, LW., et al. 2004. J Sep Sci. 27: 1339-44. PMID: 15587284
  4. Influence of isotopic substitution on the diffusion and thermal diffusion coefficient of binary liquids.  |  Wittko, G. and Köhler, W. 2006. Eur Phys J E Soft Matter. 21: 283-91. PMID: 17237907
  5. Theory of damped quantum rotation in nuclear magnetic resonance spectra. II. Numerical simulations for the benzene rotor.  |  Ratajczyk, T. and Szymański, S. 2007. J Chem Phys. 127: 184504. PMID: 18020646
  6. Reaction of molecular oxygen with a Pd(II)-hydride to produce a Pd(II)-hydroperoxide: experimental evidence for an HX-reductive-elimination pathway.  |  Konnick, MM. and Stahl, SS. 2008. J Am Chem Soc. 130: 5753-62. PMID: 18393426
  7. Strong N-H..pi hydrogen bonding in amide-benzene interactions.  |  Ottiger, P., et al. 2009. J Phys Chem B. 113: 2937-43. PMID: 19243205
  8. In situ measurements of volatile aromatic hydrocarbon biodegradation rates in groundwater.  |  Cozzarelli, IM., et al. 2010. J Contam Hydrol. 111: 48-64. PMID: 20060615
  9. 2H NMR study of dynamics of benzene-d6 interacting with humic and fulvic acids.  |  Eastman, MA., et al. 2011. J Phys Chem A. 115: 4359-72. PMID: 21456559
  10. Kinetic studies on anthralin photooxidation.  |  Müller, K., et al. 1990. Photochem Photobiol. 52: 445-50. PMID: 2284338
  11. Benzene at 1GHz. Magnetic field-induced fine structure.  |  Heist, LM., et al. 2015. J Magn Reson. 258: 17-24. PMID: 26160011
  12. Silyl-pyridine-amine pincer-ligated iridium complexes for catalytic silane deuteration via room temperature C-D bond activation of benzene-d6.  |  Komuro, T., et al. 2019. Chem Commun (Camb). 55: 957-960. PMID: 30604784
  13. New Analytical Method for Quantifying Flavoring Chemicals of Potential Respiratory Health Risk Concerns in e-Cigarette Liquids.  |  Page, MK. and Goniewicz, ML. 2021. Front Chem. 9: 763940. PMID: 34778213
  14. Quinine as a highly responsive chiral sensor for the 1H and 19F NMR enantiodiscrimination of N-trifluoroacetyl amino acids with free carboxyl functions.  |  Recchimurzo, A., et al. 2022. Analyst. 147: 1669-1677. PMID: 35315472
  15. Shear-Induced Orientational Order in a Polystyrene/Benzene-d6 Solution As Observed by 2H NMR.  |  ter Beek LC,. and Linseisen, FM. 1998. Macromolecules. 31: 4986-9. PMID: 9680438

Ordering Information

Product NameCatalog #UNITPriceQtyFAVORITES

Benzene-d6, 5 g

sc-257129
5 g
$60.00

Benzene-d6, 10 g

sc-257129A
10 g
$78.00