617385

Deuterium oxide

99.8 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: 24874840
• NACRES: NA.21

Properties

• isotopic purity: 99.8 atom % D
• form: liquid
• technique(s): HPLC: 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 also known as heavy water. It is commonly used as a solvent in high-resolution NMR (Nuclear magnetic resonance) FTIR (Fourier-transform infrared) and polarized visible Raman spectroscopic studies. It is also used to prepare deuterium-labeled compounds in various fields such as pharmaceutical, bioanalytical, biological, and environmental chemistry via H-D exchange reactions to study drug metabolism mechanisms, reaction mechanisms, the structure of biomolecules, and residual agrochemicals in foods using suitable analytical methods.[1][2]

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Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable