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

CAS: 2206-27-1 Cat. No.: D106266 Formule: C₂D₆SO Poids moléculaire: 84.17 Beilstein Registry Number: 1237248 Numéro CE: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

≥99.9 atom% D, contains 1 % (v/v) TMS

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥99.9 atom% D

Noms et identifiants

Pubchem Sid

508812216

Sourires canoniques

[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

Isomères SMILES

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

WGK Allemagne

2

CAS alternatif

67-68-5（Unlabeled）

Poids moléculaire

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
    • Classe Sulfoxides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: soluble in water
• Sensibilité: Hygroscopic；light sensitive
• Point de congélation (°C): 20 °C
• Indice de réfraction: 1.48
• Point d'éclair (°F): 190.4 °F
• Point d'éclair (°C): 88℃
• Point d'ébullition (°C): 190°C
• Point de fusion (°C): 20°C
• Poids moléculaire: 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