617385
Deuterium oxide
99.8 atom % D
Synonym(s):
Heavy water, Water-d2
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About This Item
Empirical Formula (Hill Notation):
D2O
CAS Number:
Molecular Weight:
20.03
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21
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isotopic purity
99.8 atom % D
Quality Level
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
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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.
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Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
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Observation of the keto tautomer of D-fructose in D2O using 1H NMR spectroscopy
Barclay T, et al.
Carbohydrate Research, 347(1), 136-141 (2012)
NMR spectroscopy of saccharide-doped PAGAT dosimeters.
Skyt PS, et al.
Journal of Physics. Conference Series, 573 (2015)
The Exchange Reaction of Hydrogen and Deuterium Oxide.
Crist RH and Dalin GA
J. Chem. Phys. , 2(8), 548-548 (1934)
Thermodynamic properties of deuterium oxide in the temperature range from 6 to 350K.
Smirnova NN, et al.
The Journal of Chemical Thermodynamics, 38(7), 879-883 (2006)
Ruthenium-Catalyzed Regioselective Deuteration of Alcohols at the β-Carbon Position with Deuterium Oxide.
Tse SKS, et al.
Chemistry (Weinheim An Der Bergstrasse, Germany), 17(49), 13918-13925 (2011)
Articles
Solid-state NMR on Larger Biomolecules; Sigma-Aldrich.com
Related Content
NMR spectroscopy elucidates molecular structure and purity via nuclear spin states in a strong magnetic field.
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