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284664-85-3

284664-85-3 Structure

284664-85-3 Structure
IdentificationBack Directory
[Name]

3-(TRIMETHYLSILYL)-1-PROPANESULFONIC ACI
[CAS]

284664-85-3
[Synonyms]

DSS-d6
3-(TRIMETHYLSILYL)-1-PROPANESULFONIC ACI
2,2-DIMETHYL-2-SILAPENTANE-D6-5-SULFONIC
2,2-dimethyl-2-silapentane-5-sulfonate-d6sodium salt
Sodium 3-(trimethylsilyl)propane-1-sulfonate-1,1,2,2,3,3-d6
Deuterated 3-(trimethylsilyl)-1-propanesulfonic acid sodium salt
DSS-d6, 2,2-Dimethyl-2-silapentane-5-sulfonate-d6 sodium salt
sodium:1,1,2,2,3,3-hexadeuterio-3-trimethylsilylpropane-1-sulfonate
3-(TriMethylsilyl)-1-propane-1,1,2,2,3,3-d6-sulfonic Acid SodiuM Salt
1-Propane-1,1,2,2,3,3-d6-sulfonic acid, 3-(trimethylsilyl)-, sodium salt (9CI)
[Molecular Formula]

C6H9D6O3SSi.Na
[MDL Number]

MFCD03701634
[MOL File]

284664-85-3.mol
[Molecular Weight]

224.36
Chemical PropertiesBack Directory
[Melting point ]

118-120 °C(lit.)
[storage temp. ]

Hygroscopic, Refrigerator, under inert atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Stability:]

Hygroscopic
[InChI]

1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1/i4D2,5D2,6D2;
[InChIKey]

HWEXKRHYVOGVDA-CHBZFOKHSA-M
[SMILES]

[Na+].[2H]C([2H])(C([2H])([2H])[Si](C)(C)C)C([2H])([2H])S([O-])(=O)=O
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

In exometabolome analysis using 1H-NMR (nuclear magnetic resonance) spectroscopy, 3-(Trimethylsilyl)-1-propanesulfonic acid-d6 sodium salt has been used as an internal standard for metabolite quantification. It has been used for the preparation of DMSO (dimethyl sulfoxide)/DSS solvent solution to make NMR leaf extract samples.
[General Description]

3-(Trimethylsilyl)-1-propanesulfonic acid (also referred to as DSS (2,2-Dimethyl-2-silapentane-5-sulfonate)) is an internal standard for NMR (nuclear magnetic resonance) studies. It results in high intensity proton peaks which are easily identified. DSS also has negligible sensitivity towards pH and temperature changes.
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