Date published: 2026-5-9

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Indole-d6 (CAS 104959-27-5)

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Alternate Names:
1H-Indole-d6; 1-Azaindene-d6; 1-Benzazole-d6
CAS Number:
104959-27-5
Molecular Weight:
123.18
Molecular Formula:
C8HD6N
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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Indole-d6 is a deuterated derivative of indole, used in various research applications, particularly in the study of organic synthesis and metabolic pathways involving indole structures. The presence of deuterium atoms, which are heavier isotopes of hydrogen, fundamentally alters the physical properties of indole, such as its nuclear magnetic resonance (NMR) spectroscopic characteristics. This modification is in NMR-based research, as it provides clearer, more distinct signals, facilitating the precise tracking of indole′s behavior and interactions in complex molecular environments. Indole-d6′s enhanced signal stability and reduced exchange with protium (regular hydrogen) make it an invaluable tool in tracing the pathways through which indole-related compounds are metabolized in chemical systems, thereby aiding in elucidating mechanisms of action that are pivotal in synthetic chemistry and materials science research.


Indole-d6 (CAS 104959-27-5) References

  1. Interplay of hydrogenation and dehydrogenation in isoindoline and indoline isomers: a density functional theory study.  |  Tsai, HH., et al. 2008. J Phys Chem A. 112: 5278-85. PMID: 18484711
  2. Intestinal microbiota-derived tryptophan metabolites are predictive of Ah receptor activity.  |  Dong, F., et al. 2020. Gut Microbes. 12: 1-24. PMID: 32783770
  3. Molecular ordering of interfacially localized tryptophan analogs in ester- and ether-lipid bilayers studied by 2H-NMR.  |  Persson, S., et al. 1998. Biophys J. 75: 1365-71. PMID: 9726937

Ordering Information

Product NameCatalog #UNITPriceQtyFAVORITES

Indole-d6, 10 mg

sc-488364
10 mg
$344.00