1.03424

Dimethyl sulfoxide-d₆

deuteration degree min. 99.8% for NMR spectroscopy MagniSolv^™

• Synonym(s): DMSO deuterated, (Methyl sulfoxide)-d₆, DMSO-d₆, Hexadeuterodimethyl sulfoxide
• Linear Formula: (CD₃)₂SO
• CAS Number: 2206-27-1
• Molecular Weight: 84.17
• UNSPSC Code: 12142201
• NACRES: NA.22
• EC Index Number: 218-617-0
• MDL number: MFCD00002090
• Beilstein/REAXYS Number: 1237248
• Mass shift: M+6
• Form: liquid

Properties

• InChI key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N
• SMILES string: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
• InChI: 1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3
• vapor pressure: 0.42 mmHg ( 20 °C)
• form: liquid
• autoignition temp.: 573 °F
• potency: 14500 mg/kg LD₅₀, oral (Rat), 40000 mg/kg LD₅₀, skin (Rat)
• expl. lim.: 42 %
• technique(s): NMR: suitable
• impurities: ≤0.020% Water (H<SUB>2</SUB>O) (NMR), ≤0.030% Water (H<SUB>2</SUB>O + D<SUB>2</SUB>O) (Karl Fischer)
• refractive index: n20/D 1.476 (lit.)
• bp: 189 °C (lit.)
• mp: 20.2 °C
• transition temp: flash point 88 °C
• density: 1.190 g/mL at 25 °C (lit.)
• mass shift: M+6
• storage temp.: no temp limit
• Quality Level: 100

Description

Analysis Note

Deuteration degree: ≥ 99.80 %
Water (K. Fischer, H₂O + D₂O): ≤ 0.030 %
Performance test (NMR-spectrum): passes test
Water (NMR, H₂O): ≤ 0.020 %

Application

• Computer modeling of adsorption on an activated charcoal surface.: This study uses computational modeling to simulate adsorption processes, where Dimethyl sulfoxide-d₆ is likely used as a model solvent to analyze interactions at the molecular level (Wurster et al., 1994).


• Solvent effects on the conformation of cyclo(-D-Trp-D-Asp-Pro-D-Val-Leu-). An NMR spectroscopy and molecular modeling study.: Investigates how solvents like Dimethyl sulfoxide-d₆ influence peptide conformations, enhancing our understanding of peptide behavior in different chemical environments (Gonnella et al., 1994).


• Role of the NH2-terminal domain of angiotensin II (ANG II) and [Sar1]angiotensin II on conformation and activity. NMR evidence for aromatic ring clustering and peptide backbone folding compared with [des-1,2,3]angiotensin II.: Discusses the structural and functional aspects of angiotensin II with Dimethyl sulfoxide-d₆ as a solvent to facilitate NMR analysis, providing insights into peptide structure-activity relationships (Matsoukas et al., 1994).


• Cyclic lactam analogues of Ac-[Nle4]alpha-MSH4-11-NH2.: Focuses on cyclic lactam analogues using Dimethyl sulfoxide-d₆ in NMR studies to investigate molecular conformations, contributing to peptide chemistry research (Sugg et al., 1988).


• NMR study of a lymphocyte differentiating thymic factor. An investigation of the Zn(II)-nonapeptide complexes (thymulin).: Utilizes Dimethyl sulfoxide-d₆ in detailed NMR studies to explore the interactions of metal-peptide complexes, which are crucial for understanding the bioactive conformation and function of peptides in analytical biochemistry (Cung et al., 1988).

Other Notes

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Legal Information

MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk: WGK 1
• flash_point_f: 190.4 °F
• flash_point_c: 88 °C