423459

Deuterium oxide

"100%", 99.96 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
• UNSPSC Code: 12142201
• PubChem Substance ID: 24866494

Properties

• Quality Level: 100
• isotopic purity: 99.96 atom % D
• form: liquid
• packaging: pk of 10 × 1 mL
• 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) also known as heavy water is deuterated water. It is safe and inexpensive source of deuterium (D) for the D/H exchange reactions.[1] The equilibrium constant for the exchange of deuterium between hydrogen (H) and D₂O molecules has been determined.[2] Reports suggest that gelatin gels prepared in D₂O show higher rigidity than gels prepared in water.[3] 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.[4] Its utility as a potential therapeutic agent in treating human pancreatic cancer has been studied.[5]

Application

Deuterium oxide may be used in the following processes:

• As a NMR solvent.[6]
• Preparation of β-deuterated alcohols.[1]
• For the adsorption of neutrons in atomic reactors.[4]
• Deuterium transfer agent in combination with hexamethyldisilane in the preparation of 1,2-dideuterioalkenes from alkynes.[7]

Safety Information

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