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DMSO-d6 - D.99.7% +0.03%TMS, high purity , CAS No.2206-27-1

170 Citations

COA

Grade & Purity:

≥99.7 atom% D
contains 0.03 % (v/v) TMS

Cas Number: 2206-27-1
Molecular Weight: 84.17
Beilstein Registry Number: 1237248
EC Number: 218-617-0
MDL number: MFCD00002090
PubChem CID: 75151

In stock

Item Number

D615712

Grouped product items
SKU	Size	Availability	Price
D615712-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$59.90
D615712-25g	25g	2	$129.90
D615712-50g	50g	2	$239.90

View related series

NMR solvent (2)

Basic Description

Synonyms	DMSO-d₆ \| deuterated dmso \| trideuterio(trideuteriomethylsulfinyl)methane \| (Methyl sulfoxide)-d₆ \| Methane-d3,sulfinylbis- (9CI) \| DMSO D₆ \| Di((2H₃)methyl) \| Dimethylsulfoxide-D₆ \| Dimethyl sulfoxide-d₆ \| sulfinylbis-Methane-D₃ \| Hexadeuterodimethyl sul
Specifications & Purity	≥99.7 atom% D, contains 0.03 % (v/v) TMS
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Estimation of dissociation constants (pKa′s) of oximes from proton chemical shifts in dimethyl sulfoxide solution: This research utilizes Dimethyl sulfoxide-d₆ (DMSO-d₆) to determine pKa values of oximes, demonstrating its crucial role in enhancing the accuracy of proton NMR spectroscopy for chemical analysis and research within pharmaceutical contexts. Proton nuclear magnetic resonance studies on methylthiohydantoins, thiohydantoins, and hydantoins of amino acids: DMSO-d₆ is extensively employed to investigate the structure and behavior of various hydantoin derivatives in amino acid research, proving essential for understanding protein structures and functions, with implications for both academic and pharmaceutical industries.

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
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

Names and Identifiers

IUPAC Name	trideuterio(trideuteriomethylsulfinyl)methane
INCHI	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]
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
C2510095	Certificate of Analysis	Mar 22, 2025	D615712
C2510096	Certificate of Analysis	Mar 22, 2025	D615712
C2510097	Certificate of Analysis	Mar 22, 2025	D615712
K2408150	Certificate of Analysis	Nov 12, 2024	D615712
I2424035	Certificate of Analysis	Sep 29, 2024	D615712
I2413115	Certificate of Analysis	Sep 20, 2024	D615712
H2321100	Certificate of Analysis	Aug 25, 2023	D615712
H2321087	Certificate of Analysis	Aug 25, 2023	D615712
H2407073	Certificate of Analysis	Aug 23, 2023	D615712
H2321086	Certificate of Analysis	Aug 23, 2023	D615712

Chemical and Physical Properties

Solubility	Completely miscible
Sensitivity	Hygroscopic
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 Å²
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

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