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41867

Supelco

Dimethyl sulfone

Standard for quantitative NMR, TraceCERT®

Synonym(s):
Methyl sulfone
Linear Formula:
(CH3)2SO2
CAS Number:
Molecular Weight:
94.13
Beilstein:
1737717
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

Quality Level

grade

Standard for quantitative NMR
certified reference material
TraceCERT®

description

qNMR Standard for D2O and organic solvents (3.2 ppm)

product line

TraceCERT®

form

neat

shelf life

limited shelf life, expiry date on the label

application(s)

HPLC: suitable
gas chromatography (GC): suitable
qNMR: suitable

bp

238 °C (lit.)

mp

107-109 °C (lit.)

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format

neat

SMILES string

CS(C)(=O)=O

InChI

1S/C2H6O2S/c1-5(2,3)4/h1-2H3

InChI key

HHVIBTZHLRERCL-UHFFFAOYSA-N

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General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.
Dimethyl sulfone is a solvent, which can dissolve a wide range of solutes and can be generally used for high temperature reactions.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Dimethyl sulfone has been used as internal standard, for the nuclear magnetic resonance spectrum studies of cocrystals containing API carbamazepine, synthesized using mechanochemical method of synthesis.

Other Notes

Chemical Shift: 3.2 ppm (chemical shifts may slightly vary depending on the experimental conditions)
suitable NMR solvents: D2O, DMSO-d6, CDCI3

Legal Information

TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

Certificate of Origin

Make and break-Facile synthesis of cocrystals and comprehensive dissolution studies
Batzdorf.L, et al.
Journal of Molecular Structure, 1133, 18-23 (2017)
Why are dimethyl sulfoxide and dimethyl sulfone such good solvents?
Clark T, et al.
Journal of Molecular Modeling, 14, 689-697 (2008)
Joan McIntyre Caron et al.
PloS one, 5(8), e11788-e11788 (2010-08-10)
The most deadly form of cancer is not lung or colon, breast or prostate; it is any cancer that has become metastatic. Mortality due to metastatic melanoma, one of the most aggressive and deadly cancers, has increased steadily over the...
Gaoqing Yuan et al.
Chemical communications (Cambridge, England), 48(60), 7513-7515 (2012-06-26)
With atmospheric oxygen as the oxidant, a novel copper(I)-catalyzed synthesis of aryl methyl sulfones from aryl halides and widely available DMSO is described. The procedure tolerates aryl halides with various functional groups (such as methoxy, acetyl, chloro, fluoro and nitro...
Eun Joung Lim et al.
PloS one, 7(4), e33361-e33361 (2012-04-10)
Breast cancer is the most aggressive form of all cancers, with high incidence and mortality rates. The purpose of the present study was to investigate the molecular mechanism by which methylsulfonylmethane (MSM) inhibits breast cancer growth in mice xenografts. MSM...

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