Basic information
- CAS
2206-27-1- Standard SMILES
[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]- InChIKey
IAZDPXIOMUYVGZ-WFGJKAKNSA-N- Molecular formula
- C2H6OS
- Average molar mass
- 84.17 g/mol
- Monoisotopic mass
- 84.05159629
Overview
Dimethyl sulfoxide-d6 is a volatile organic compound, a sulfoxide and a deuterated compound. It has a role as a NMR solvent.
Names & identifiers
- Preferred name
- Di((2H3)methyl) sulphoxide
- IUPAC
- trideuterio(trideuteriomethylsulfinyl)methane
- English name
- Dimethyl sulfoxide-d6
- Molecular formula
- C2D6OS
- Molecular weight
- 84.17
Names & synonyms
Dimethyl sulfoxide-d6DMSO-d6Di((2H3)methyl) sulphoxideMethane-d3, sulfinylbis-DTXSID90944686EINECS 218-617-0Di[(2H3)methyl] sulphoxide(Methyl sulfoxide)d6Methaned3, sulfinylbisDMSOD6RefChem:585930DTXCID001373024
Show more names
DIMETHYL-D6 SULFOXIDEDeuterodiMethyl sulfoxide-d6DMSO DEUTERATEDDimethylsulfoxid-d6((Methyl-d3)sulfinyl)methane-d3Dimethyl sulfoxide-d6 99.9 atom % D, contains 1 % (v/v) TMS5*0.5ML10*0.6ML
218-617-02206-27-1Dimethylsulfoxide-D6deuterated dmso(Methyl sulfoxide)-d6Hexadeuterodimethyl sulfoxidetrideuterio(trideuteriomethylsulfinyl)methaneMFCD00002090
Database identifiers
- CAS
2206-27-1- PubChem CID
- 75151
- DTXSID
DTXSID90944686- ChEBI
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 29
Experimental & physicochemical properties
SolventsSolvents -> Other Solvents
Density1.19 @25 °C
Melting Point18 °C
Vapor Pressure0.41 [mmHg]
Physical DescriptionHygroscopic liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 20.2 °C · 20.2 °C
- Boiling point
- 189 °C · 189°C
- Density
- 1.19 g/mL · 1.190 g/mL at 25 °C(lit.)
- vapor pressure
- 0.42 mm · 0.42 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.476(lit.)
- Flash point
- 185 °F · 185 °F
- storage temp.
- no restrictions.
- solubility
- 99.96 % · Minimum isotopic purity 99.96%
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 63.6% (7 of 11) of all reports.
Warning
H315 (27.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Methane-d3, sulfinylbis-
Status: Active Update: 16-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27759
Methane-d3, sulfinylbis-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Methane-d3, sulfinylbis-: Human health tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Dimethyl sulfoxide. See Deuterium.
Hazard Classes and CategoriesSkin Irrit. 2 (27.3%)
Safety & protection
Protective Action Criteria (PAC)
320 [mg/m3]
730 [mg/m3]
2900 [mg/m3]
Toxicology
Chemistry & industry
Applications
Uses(Dimethyl Sulfoxide-d6) DMSO is a very common aprotic solvent that is used in a variety of organic chemical reactions and spectroscopic analyses.
UsesDMSO-d6 is a solvent of choice in NMR spectroscopy, owing to its unique characteristics of dissolving both nonpolar and polar compounds, miscibility with almost all organic solvents and permitting high temperature dynamic NMR studies.
UsesDimethyl sulfoxide-d6 may be used as an NMR solvent for 1H and 13C NMR experiments.
General DescriptionDimethyl sulfoxide-d6 (DMSO-d6) is a deuterated solvent. It is 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. On photoirradiation in the range of 193 and 222nm, it undergoes decomposition to afford CD3 radicals. Quantum yields of CD3 have been evaluated by infrared diode laser absorption spectroscopy. 100% DMSO-d6 has been used as solvent in the long-range COSY (Correlation Spectroscopy) experiment.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
烟台索迪新材料有限公司+86-15726560565 15726560565 · [email protected]
安徽旺山旺水特种气体有限公司15906197626 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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