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Specifications
|
Appearance |
Colorless liquid |
|
Chemical Purity Specification |
99.5% min |
|
1H NMR for isotopic enrichment |
99.5% min |
|
1H NMR for chemical purity |
Pass |
|
GC/FID for chemical purity |
99.5% min |
|
Karl Fischer titration for total water content |
130 ppm max |
Transport Information
|
Parameter |
Specification |
|
UN Number |
1294 |
|
Class |
3 |
|
Packing Group |
|
|
H.S. Code |
2902300000999 |
|
Stability & Reactivity |
The product is chemically stable under standard ambient conditions. |
|
Storage |
Tightly closed. Store in a closed, dry, ventilated place |
|
Condition to Avoid |
Fire |
|
Package |
Overview
Toluene-d8丨CAS 2037-26-5 is a stable, fully deuterated form of toluene widely used as a solvent and reference standard in nuclear magnetic resonance (NMR) spectroscopy and specialized chemical applications.
Applications
1. NMR Spectroscopy Solvent
Used as a deuterated solvent for high-resolution NMR studies, particularly in:
Organic chemistry
Pharmaceutical research
Polymer analysis
The presence of deuterium instead of hydrogen minimizes background signals in the proton NMR spectrum, improving spectral clarity and resolution.
Useful when studying compounds soluble in non-polar aromatic solvents.
2. Internal Standard in Analytical Chemistry
Serves as an internal standard or reference compound in:
Mass spectrometry (MS)
Gas chromatography (GC)
Quantitative NMR (qNMR)
The isotopic labeling helps distinguish it clearly from analyte signals.
3. Isotopic Labeling in Mechanistic Studies
Used in kinetic isotope effect experiments and mechanistic investigations to study reaction pathways involving toluene derivatives.
The replacement of hydrogen with deuterium can alter reaction rates, providing insight into bond-breaking/forming processes.
4. Specialized Organic Synthesis
Acts as a solvent or reagent in synthetic routes where deuterium incorporation is desired to produce deuterium-labeled compounds, useful in pharmaceuticals or tracer studies.
Benefits
1. Minimal Background Interference
The replacement of all hydrogens by deuterium results in very weak or absent proton signals from the solvent, enhancing the quality of NMR spectra.
2. Chemical Stability
Chemically and thermally stable under standard laboratory conditions.
Resistant to isotope exchange, preserving the deuterated structure during storage and use.
3. Improved Accuracy in Quantitative Analysis
Facilitates precise quantification in NMR and MS by providing a consistent, distinguishable signal without overlap.
4. Versatility
Suitable for a wide range of compounds soluble in aromatic solvents, including non-polar and moderately polar substances.
Conclusion
Toluene-d8丨CAS 2037-26-5 is an essential deuterated solvent widely employed in NMR spectroscopy, analytical chemistry, and mechanistic research. Its ability to provide clear, interference-free spectra and serve as an isotopic standard makes it invaluable in chemical, pharmaceutical, and materials science laboratories. Safe handling and storage ensure effective use in research and industrial environments.
