450510

Deuterium oxide

99.9 atom % D, contains 0.05 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d₄ acid, sodium salt

• 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
• UNSPSC Code: 12142201
• PubChem Substance ID: 24868252
• NACRES: NA.21
• Technique(s): NMR: suitable
• Bp: 101.4 °C (lit.)

Properties

• isotopic purity: 99.9 atom % D
• Quality Level: 100
• form: liquid
• contains: 0.05 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d₄ acid, sodium salt
• 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, heavy water) is deuterated water containing 0.05wt.% 3-(trimethylsilyl)propionic-2,2,3,3-d₄ acid, sodium salt. It is safe and inexpensive source of deuterium (D) for the D/H exchange reactions. The equilibrium constant for the exchange of deuterium between hydrogen (H) and D₂O molecules has been determined. Reports suggest that gelatin gels prepared in D₂O show higher rigidity than gels prepared in water. The influence of temperature on the heat capacity of deuterium in crystalline and liquid state was studied calorimetrically and its melting point, enthalpy and entropy of fusion were determined. Its utility as a potential therapeutic agent in treating human pancreatic cancer has been studied.

Application

Deuterium oxide may be used in the following processes:

• As an NMR solvent.
• Preparation of β-deuterated alcohols.
• For the adsorption of neutrons in atomic reactors.
• Deuterium transfer agent in combination with hexamethyldisilane in the preparation of 1,2-dideuterioalkenes from alkynes.

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Safety Information

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