Dimethyl sulfoxide-d6 CAS 2206-27-1

Introduction：Basic information about Dimethyl sulfoxide-d6 CAS 2206-27-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Dimethyl sulfoxide-d6 Basic information

• Product Name: Dimethyl sulfoxide-d6
• Synonyms: Dimethyl sulfoxide-d6 99.9 atom % D, anhydrous;Dimethyl sulfoxide-d6 99.9 atom % D, contains 1 % (v/v) TMS;Dimethyl sulfoxide-d6 anhydrous, 99.9 atom % D;AMMONIA DILUTE R1 PHE;deutero-DMSO;foxide-d6;FERROINE PHE;GC TEMPASE 2X MASTER MIX II 2500R
• CAS: 2206-27-1
• MF: C2D6OS
• MW: 84.17
• EINECS: 218-617-0
• Product Categories: 250g RMB 2600;Analytical Chemistry;Deuterated Compounds for NMR;NMR Spectrometry;Dimethyl sulfoxide-d6;Aldrich High Purity NMR Solvents for Routine NMR;High Throughput NMR;Labware;NMR;NMR Solvents;NMR Solvents and Reagents;Routine NMR;Solvent by Application;Solvents;Solvents for High Throughput NMR;Spectroscopy Solvents (IR;Stable Isotopes;Tubes and Accessories;UV/Vis);Alphabetical Listings;D;Aldrich 100% NMR Solvents for High Resolution;Dimethyl Sulfoxide (DMSO);High Resolution NMR;Solvent by Type
• Mol File: 2206-27-1.mol

Dimethyl sulfoxide-d6 Chemical Properties

• Melting point: 20.2 °C
• Melting point: 18,45°C
• Boiling point: 55 °C5 mm Hg(lit.)
• Boiling point: 189°C
• density: d = 1,19
• density: 1.190 g/mL at 25 °C(lit.)
• vapor pressure: 0.42 mm Hg ( 20 °C)
• refractive index: n20/D 1.476(lit.)
• Fp: 185 °F
• storage temp.: no restrictions.
• solubility: Minimum isotopic purity 99.96%
• form: Liquid
• color: Colorless
• Specific Gravity: 1.190
• explosive limit: 1.8-63%(V)
• Water Solubility: Miscible with water and with almost all organic solvents such as alcohols, esters, ketones, chlorinated solvents and aromatic hydrocarbons.
• Sensitive: Hygroscopic
• BRN: 1237248
• Stability: Stable. Combustible. Moisture sensitive. Incompatible with acid chlorides, strong acids, phosphorus halides, strong oxidizing agents, strong reducing agents. Reacts violently with a wide range of materials - consult a full MSDS sheet before starting use.
• InChI: 1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3
• InChIKey: IAZDPXIOMUYVGZ-WFGJKAKNSA-N
• SMILES: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
• LogP: -0.69 at 20℃ and pH7
• CAS DataBase Reference: 2206-27-1(CAS DataBase Reference)

Safety Information

• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36-23
• RIDADR: NA 1993 / PGIII
• WGK Germany: 3
• RTECS: PV6210000
• Autoignition Temperature: 573 °F
• HS Code: 2845 90 10
• Storage Class: 10 - Combustible liquids
• Toxicity: LD50 orally in Rabbit: 14500 mg/kg LD50 dermal Rat 40000 mg/kg

Dimethyl sulfoxide-d6 Usage And Synthesis

Chemical Properties

Dimethyl sulfoxide-d6 is a sulfur-containing compound with the molecular formula (CD3)2SO. It is a colorless, odorless, transparent liquid at room temperature, with a freezing point of 18.45°C and a boiling point of 189°C. It has a slightly bitter taste and is highly soluble in water, alcohol, ether, and ester, exhibiting strong hygroscopic properties. DMSO remains stable below 140°C but decomposes into trace amounts of aldehydes, sulfides, and mercaptans when heated for extended periods at its boiling point. Decomposition accelerates under acidic conditions but can be inhibited in alkaline environments. Therefore, DMSO refining is typically performed via vacuum distillation, with the pH maintained around 8, or by adding sodium oxalate as a stabilizer.

Uses

(Dimethyl Sulfoxide-d6) DMSO is a very common aprotic solvent that is used in a variety of organic chemical reactions and spectroscopic analyses.

Uses

DMSO-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.

Uses

Dimethyl sulfoxide-d₆ may be used as an NMR solvent for ¹H and ¹³C NMR experiments.

Definition

ChEBI: Dimethyl sulfoxide-d6 is a deuterated compound, a sulfoxide and a volatile organic compound.

General Description

Dimethyl 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.

Synthesis

Dimethyl sulfoxide (DMSO) and heavy water (D?O) are reacted in the presence of a base catalyst. The deuterium exchange is performed multiple times: reaction at 90-95??C, water removal at 130-150??C, and repetition with fresh D?O. The reaction mixture is distilled under reduced pressure to give a crude product (~99.2% deuteration). The crude product is recrystallized at 17??C to yield high-purity deuterated DMSO (>99.8% deuteration).