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191701 Sigma-Aldrich

Deuterium oxide

"100%", 99.990 atom % D

Synonym: Heavy water, Water-d2

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Properties

Related Categories "Ultra" and "Extra" Enriched D2O, Alphabetical Listings, D, Deuterium oxide, NMR Solvents,
Quality Level   200
isotopic purity   99.990 atom % D
bp   101.4 °C (lit.)
mp   3.8 °C (lit.)
SMILES string   [2H]O[2H]
InChI   1S/H2O/h1H2/i/hD2
InChI key   XLYOFNOQVPJJNP-ZSJDYOACSA-N

Description

General description

Deuterium oxide (D2O) is a 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies. Various thermodynamic properties (such as intermolecular vibrational frequencies, energy of the hydrogen bond, free energy, enthalpy and entropy) of liquid deuterium oxide have been evaluated. Ionization constant for D2O (in the range of 5-50°C), pK values (at 25°C) and enthalpy, entropy, heat capacity change (for the dissociation of D2O) have been reported.

Application

Deuterium oxide may be used:
• To prepare trifluoroacetic acid-d by reacting with trifluoroacetic anhydride.
• As a deuteration agent for primary and secondary alcohols at the β-carbon position via H/D exchange reaction in the presence of ruthenium catalyst.
• Along with hexamethyldisilane as a deuterium transfer reagent for alkynes to form (E)-1,2-dideuterioalkenes in the presence of a palladium complex.

Packaging

10 g in ampule

10×0.25, 10×0.5 mL in ampule

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
RTECS 
ZC0230000
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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