DMSO-d6 - ≥99.9 atom% D, contains 1 % (v/v) TMS , CAS No.2206-27-1

CAS: 2206-27-1 Cat. No.: D106266 Formula: C₂D₆SO Molecular Weight: 84.17 Beilstein Registry Number: 1237248 EC Number: 218-617-0

GRADE & PURITY ≥99.9 atom% D, contains 1 % (v/v) TMS

Synonyms

(Methyl sulfoxide)-d6 | Dimethyl Sulfoxide-d6 | Hexadeuterodimethyl sulfoxide

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Dimethyl sulfoxide-d6 is a deuterated NMR solvent that is useful in NMR-based research and analyses.

Specifications

Synonyms

(Methyl sulfoxide)-d6 | Dimethyl Sulfoxide-d6 | Hexadeuterodimethyl sulfoxide

Specifications & Purity

≥99.9 atom% D, contains 1 % (v/v) TMS

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Purity

≥99.9 atom% D

Names and Identifiers

• Pubchem Sid: 508812216
• 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: soluble in water
• Sensitivity: Hygroscopic；light sensitive
• x_freezing_point: 20 °C
• x_refractive_index: 1.48
• x_flash_point_drop_fahrenheit: 190.4 °F
• x_flash_point_drop_centigrade: 88℃
• x_boil_point_char: 190°C
• x_melt_point_char: 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