Benzene D6

Molecular Weight:  C6D6
Molecular Formula: 84.15 g/mol
CAS Number: 1076-43-3

Benzene D6, a deuterated form of benzene, holds a significant role in the Deuterium industry as a crucial deuterated solvent and reagent. With all six hydrogen atoms replaced by deuterium, Benzene D6 exhibits unique isotopic properties that make it indispensable in numerous applications. It serves as a stable and inert solvent in NMR spectroscopy, facilitating the accurate analysis of organic compounds and biomolecules. Furthermore, Benzene D6 is employed as a versatile reagent in organic synthesis, enabling the incorporation of deuterium into various molecules for labeling and research purposes. At Clearsynth, we take pride in offering high-quality Benzene D6 and other Deuterium-based products that drive innovation and research advancements in diverse scientific fields.

What are the uses of Benzene D6 ?

Benzene D6 finds extensive applications in the Deuterium industry, particularly in nuclear magnetic resonance (NMR) spectroscopy. As a highly deuterated solvent, it serves as an excellent choice for NMR analysis due to its deuterium-rich nature and high level of isotopic purity. When used as a solvent, Benzene D6 provides a deuterium reference signal in NMR experiments, enabling precise calibration and accurate measurements of proton NMR spectra. This calibration is crucial for the identification and structural analysis of organic compounds, peptides, and biomolecules.

Additionally, Benzene D6 plays a crucial role as a deuterated reagent in various chemical transformations. Deuterium labeling is employed in pharmaceutical research, environmental studies, and metabolic studies to gain insights into reaction mechanisms and drug metabolism. Benzene D6, being a readily available deuterated source, is used to introduce deuterium atoms into specific positions of target molecules, providing labeled compounds for further investigations.

Moreover, Benzene D6 is utilized in Deuterium Exchange Mass Spectrometry (DXMS), a powerful technique used to study protein structure, dynamics, and interactions. In DXMS, deuterium exchange of protein backbone amide hydrogen with deuterium oxide is measured and monitored using mass spectrometry. Benzene D6 serves as a deuterium-rich solvent in this technique, ensuring efficient labeling and precise analysis of protein structures and folding dynamics.


Benzene D6 is known by several synonyms in the Deuterium industry, reflecting its isotopic composition and usage in various applications. Some common synonyms include:

  • Perdeuterobenzene
  • Hexadeuterobenzene
  • D6-Benzene
  • Deuterobenzene
  • Deutero-benzene

Chemical Properties

  • Molecular Formula: C6D6
  • Molecular Weight: 84.15 g/mol
  • Appearance: Colorless Liquid
  • Density: 0.876 g/mL at 25°C
  • Boiling Point: 80.1°C
  • Melting Point: 5.5°C
  • Flash Point: 12°C (Closed Cup)
  • Solubility: Insoluble in water; Miscible with organic solvents