191701

Deuterium oxide

"100%", 99.990 atom % D

• Synonym(s): Heavy water, Water-d₂
• Empirical Formula (Hill Notation): D₂O
• CAS Number: 7789-20-0
• Molecular Weight: 20.03
• EC Number: 232-148-9
• MDL number: MFCD00044636
• PubChem Substance ID: 24851506
• NACRES: NA.21

Properties

• Quality Level: 200
• isotopic purity: 99.990 atom % D
• form: liquid
• technique(s): NMR: suitable
• 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

0.25, 0.5 mL in ampule

10 g in ampule

Safety Information

• Storage Class Code: 12 - Non Combustible Liquids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable