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Merck
CN

151874

Dimethyl sulfoxide-d6

99.9 atom % D

Synonym(s):

(Methyl sulfoxide)-d6, DMSO-d6, Hexadeuterodimethyl sulfoxide

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About This Item

Linear Formula:
(CD3)2SO
CAS Number:
Molecular Weight:
84.17
NACRES:
NA.11
PubChem Substance ID:
EC Number:
218-617-0
Beilstein/REAXYS Number:
1237248
MDL number:
UNSPSC Code:
51172004
eCl@ss:
32129103
Isotopic purity:
99.9 atom % D
Assay:
99% (CP)
Mass shift:
M+6
Form:
liquid
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vapor pressure

0.42 mmHg ( 20 °C)

Quality Segment

isotopic purity

99.9 atom % D

assay

99% (CP)

form

liquid

autoignition temp.

573 °F

expl. lim.

42 %

technique(s)

NMR: suitable

impurities

≤0.0250% water
water

refractive index

n20/D 1.476 (lit.)

bp

189 °C (lit.)

mp

20.2 °C (lit.)

density

1.190 g/mL at 25 °C (lit.)

mass shift

M+6

SMILES string

[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]

InChI

1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3

InChI key

IAZDPXIOMUYVGZ-WFGJKAKNSA-N

General description

Achieve sharper, more reliable nuclear magnetic resonance (NMR) spectra with our comprehensive range of deuterated solvents. Each solvent delivers exceptional chemical purity and the highest isotopic enrichment, ensuring a stable deuterium lock signal, minimal residual proton signal interference, and areliable chemical shift reference for every experiment.

Ultra-low residual water content - verified by both Karl Fischer titration and NMR methods - supports moisture-sensitive applications, while rigorous batch-to-batch quality control delivers consistent, reproducible performanceyou can trust in research and quality control laboratories.

Our portfolio spans the most widely used NMR solvents available in multiple deuteration levels and purity grades to match the exact requirements of your analysis. Available in a variety of safe,flexible formats - including glass bottles, glass ampules, serum bottles, andour exclusive moisture-protective Sure/Seal™ bottles - to suit every lab′s handling and storage needs.

Application

Deuterated solvents are indispensable wherever chemical research is carried out,supporting nuclear magnetic resonance (NMR) spectroscopy - the leading methodfor structural elucidation of organic molecules. As a non-destructive,information-rich technique, NMR reveals atomic connectivity within a molecule,its spatial orientation, and its motion in its natural environment, offering a comprehensive picture of molecular structure and dynamics.


  • Investigation of the Spatial Structure of Flufenamic Acid in Supercritical Carbon Dioxide Media via 2D NOESY.: This research explores the molecular interactions of flufenamic acid in supercritical CO2, highlighting analytical techniques using Dimethyl sulfoxide-d₆ as a solvent to enhance spectral readings (Khodov et al., 2023).

  • Taguchi Approach for Optimization of a Green Quantitative 1H-NMR Practice for Characterization of Levetiracetam and Brivaracetam in Pharmaceuticals.: Utilizes Dimethyl sulfoxide-d₆ in NMR spectroscopy to refine analytical methods for characterizing pharmaceuticals, aiming for environmental sustainability (Mansour et al., 2022).

  • Counterintuitive torsional barriers controlled by hydrogen bonding.: Investigates molecular torsion influenced by hydrogen bonding, with Dimethyl sulfoxide-d₆ employed to study solvent effects, contributing to our understanding of molecular dynamics in analytical chemistry (Barbero et al., 2020).

  • Elucidating Interactions between DMSO and Chelate-Based Ionic Liquids.: Examines the interaction dynamics between Dimethyl sulfoxide-d₆ and ionic liquids, offering insights into solvent-solute interactions critical in analytical methodologies (Chen et al., 2015).

  • Conformation of an octapeptide fragment (2-9) of kaliocin-1 in DMSO-d6 by 1H NMR and restrained molecular dynamics.: This study uses Dimethyl sulfoxide-d₆ in NMR to elucidate the conformational properties of a peptide, aiding in the understanding of peptide structure under analytical conditions (Sunilkumar et al., 2007).

Packaging

  • 151874-5G 5G glass ampule
  • 151874-10X0.6ML 10 x 0.6 ml glass ampule
  • 151874-10X0.75ML 10 x 0.75 ml glass ampule
  • 151874-10X1ML 10 x 1 ml glass ampoule
  • 151874-10G-AMP 10 g glass ampule
  • 151874-10G-GL 10 g glass bottle
  • 151874-10G-SB 10 g serum bottle
  • 151874-25G 25 g glass bottle
  • 151874-50G-GL 50 g glass bottle
  • 151874-50G-SB 50 g serum bottle
  • 151874-100G 100 g Sure/Seal™ septum bottle
  • 151874-600G 600 g glass bottle

Other Notes

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

Legal Information

Sure/Seal is a trademark of Sigma-Aldrich Co. LLC


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Storage Class

10 - Combustible liquids

WGK

WGK 1

Flash Point (°F)

190.4 °F

Flash Point (°C)

88 °C



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