151874

Dimethyl sulfoxide-d₆

99.9 atom % D

• Synonym(s): (Methyl sulfoxide)-d₆, DMSO-d₆, Hexadeuterodimethyl sulfoxide
• Linear Formula: (CD₃)₂SO
• CAS Number: 2206-27-1
• Molecular Weight: 84.17
• Beilstein: 1237248
• EC Number: 218-617-0
• MDL number: MFCD00002090
• UNSPSC Code: 12191502
• PubChem Substance ID: 24849174
• NACRES: NA.11

Properties

• vapor pressure: 0.42 mmHg ( 20 °C)
• Quality Level: 200
• 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

Description

Application

• 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).

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Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(F): 190.4 °F
• Flash Point(C): 88 °C