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Merck

617385

Sigma-Aldrich

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:
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
Technique(s):
HPLC: suitable
Bp:
101.4 °C (lit.)

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isotopic purity

99.8 atom % D

Quality Level

200

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.

Other Notes

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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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Certificates of Analysis (COA)

Lot/Batch Number
STBK6507
MKCQ2555
STBK3137
MBBC9986
MKCN6908

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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)
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