DMSO-d6 - ≥99.9 atom% D , CAS No.2206-27-1

CAS: 2206-27-1 Cat. No.: D106263 Formula: C₂D₆SO Molecular Weight: 84.17 Beilstein Registry Number: 1237248 EC Number: 218-617-0

GRADE & PURITY ≥99.9 atom% D

Synonyms

Agermin | MFCD00002090 | Dimethyl sulfoxide-d6, 'Special HOH', >=99.9 atom % D | Dimethicone 350 | Hexadeuteriodimethyl sulfoxide | Dimethyl sulfoxide-d6, Vetec(TM) reagent grade, 99.8 atom % D, contains 0.03 % (v/v) TMS | DIMETHYL SULFOXIDE-D6 99.9ATOM%D

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Dimethyl sulfoxide-d6 (DMSO-d6) is a deuterated solvent.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.
Purpose
DMSO-d6 along with glycerol or glycerol-d8 forms highly viscous binary solvents with high dissolution power for complex biological active compounds.
Dimethyl sulfoxide-d6 (DMSO-d6) has been employed as solvent for the dissolution of 1-allyloxy-2-hydroxy-propyl-starch (AHP-starch) to record its high resolution 1H NMR (Proton Nuclear Magnetic Resonance) spectrum

Specifications

Synonyms

Agermin | MFCD00002090 | Dimethyl sulfoxide-d6, 'Special HOH', >=99.9 atom % D | Dimethicone 350 | Hexadeuteriodimethyl sulfoxide | Dimethyl sulfoxide-d6, Vetec(TM) reagent grade, 99.8 atom % D, contains 0.03 % (v/v) TMS | DIMETHYL SULFOXIDE-D6 99.9ATOM%D

Specifications & Purity

≥99.9 atom% D

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Purity

≥99.9 atom% D

Names and Identifiers

Pubchem Sid

508812218

Canonical Smiles

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

IUPAC Name

trideuterio(trideuteriomethylsulfinyl)methane

InChIKey

IAZDPXIOMUYVGZ-WFGJKAKNSA-N

INCHI

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

Isomeric SMILES

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

WGK Germany

2

Alternate CAS

67-68-5（Unlabeled）

Molecular Weight

84.17

Beilstein

1237248

Reaxy-Rn

1237248

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfoxides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfoxides
• Alternative Parents: Sulfinyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Miscible with water and diethyl ether.
• Sensitivity: Hygroscopic；Light sensitive
• Freezing Point(°C): 20 °C
• Refractive Index: 1.48
• Flash Point(°F): 190.4 °F
• Flash Point(°C): 88℃
• Boil Point(°C): 190°C
• Melt Point(°C): 20°C
• Molecular Weight: 84.170 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 84.0516 Da
• Monoisotopic Mass: 84.0516 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 29.000
• Isotope Atom Count: 6
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1