Benzene-D₆ C₆D₆

CAS No. 1076-43-3

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Benzene-D₆ (C₆D₆) is a perdeuterated form of benzene. It is an aromatic single ring compound. Benzene-D₆ is a very important chemical intermediate for the synthesis of deuterium-labeled high order organic molecules.

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Benzene-D₆ (deuterobenzene) is a common solvent in NMR spectrometry1. It is also an important component of special catalytically active synthetic zeolytes 2. Deuterobenzene use has additionally emerged in the synthesis of deuterobenzene-cored fluorophores for the OLED manufacturing process3. Although current research concentrates on the stability of blue light in OLEDs, the deuterated benzene derivative could show improved stability of the orange light as a side effect4.

Additional applications include both conventional and organic photovoltaic cells, where benzene naphthalene coupling is routinely used.  For these applications, the perdeuteration of benzene may improve the stability and longevity of photovoltaic cells 5. Although the primary literature in this field is still developing, current findings suggest the deuteration of benzene would increase the stability of the conjugated microporous polymers6,7 used in gas adsorption, heterogeneous catalysis, light emission, light-harvesting, and electrical energy storage8,9.  


  • Benzene-d₆, 1076-43-3
  • Perdeuterobenzene
  • Hexadeuterobenzene
  • Deuterated benzene
  • hexadeuteriobenzene
  • d₆-benzene
  • D₆-Benzene
  • [D₆]benzene
  • Benzene (D₆)


  • Molecular Weight: 84.15 g/mol
  • Chemical Purity: 99.5%
  • Isotopic purity: 99.6 atom % D
  • Solubility: Miscible with most organic solvents.
  • Form: Liquid
  • Color: Colorless
  • Water solubility: Slightly soluble in water.
  • Sensitive:  Moisture Sensitive


  1. Fulmer, G. R. et al. NMR chemical shifts of trace impurities: Common laboratory solvents, organics, and gases in deuterated solvents relevant to the organometallic chemist. Organometallics (2010). doi:10.1021/om100106e
  2. Taylor, J. C. Locations of deuterobenzene molecules in the synthetic zeolite ZSM-5 at 77 K by powder neutron diffraction. Zeolites (1987). doi:10.1016/0144-2449(87)90033-9
  3. Huang, J. et al. Benzene-cored fluorophors with TPE peripheries: Facile synthesis, crystallization-induced blue-shifted emission, and efficient blue luminogens for non-doped OLEDs. J. Mater. Chem. (2012). doi:10.1039/c2jm31855e
  4. Zhan, X. et al. Benzene-cored AIEgens for deep-blue OLEDs: High performance without hole-transporting layers, and unexpected excellent host for orange emission as a side-effect. Chem. Sci. (2016). doi:10.1039/c6sc00559d
  5. Cheng, Y. J., Chen, C. H., Lin, Y. S., Chang, C. Y. & Hsu, C. S. Ladder-type nonacyclic structure consisting of alternate thiophene and benzene units for efficient conventional and inverted organic photovoltaics. Chem. Mater. (2011). doi:10.1021/cm202612t
  6. Ren, S. et al. Functional conjugated microporous polymers: From 1,3,5-benzene to 1,3,5-triazine. Polym. Chem. (2012). doi:10.1039/c2py00585a
  7. .Xiang, L. et al. A luminescent hypercrosslinked conjugated microporous polymer for efficient removal and detection of mercury ions. Macromol. Rapid Commun. (2015). doi:10.1002/marc.201500159
  8. Xu, Y., Jin, S., Xu, H., Nagai, A. & Jiang, D. Conjugated microporous polymers: Design, synthesis and application. Chem. Soc. Rev. (2013). doi:10.1039/c3cs60160a
  9. Lindemann, P. et al. Preparation of freestanding conjugated microporous polymer nanomembranes for gas separation. Chem. Mater. (2014). doi:10.1021/cm503924h