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Sigma-Aldrich

Deuterium oxide

99.9 atom % D, contains 1 % (w/w) 3-(trimethylsilyl)-1-propanesulfonic acid, sodium salt (DSS)

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:
24861200
NACRES:
NA.21

isotopic purity

99.9 atom % D

form

liquid

contains

1 % (w/w) 3-(trimethylsilyl)-1-propanesulfonic acid, sodium salt (DSS)

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

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Application

Deuterium oxide can serve as a solvent in the :
  • NMR analysis.
  • 1HDOSY (Diffusion-Ordered Spectroscopy) NMR experiments.

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Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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The ionization constant of deuterium oxide from 5 to 50?.
Covington AK, et al.
The Journal of Physical Chemistry, 70(12), 3820-3824 (1966)
Structure of water and hydrophobic bonding in proteins. IV. The thermodynamic properties of liquid deuterium oxide.
Nemethy G and Scheraga HA.
J. Chem. Phys. , 41(3), 680-689 (1964)
Using high-performance quantitative NMR (HP-qNMR?) for certifying traceable and highly accurate purity values of organic reference materials with uncertainties< 0.1%.
Weber M, et al.
Accreditation and Quality Assurance, 18(2), 91-98 (2013)
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