Merck
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151890

Sigma-Aldrich

Deuterium oxide

"100%", ≥99.96 atom % D

Synonym(s):
Heavy water, Water-d2
Empirical Formula (Hill Notation):
D2O
CAS Number:
Molecular Weight:
20.03
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

isotopic purity

≥99.96 atom % D

form

liquid

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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General description

Deuterium oxide (D2O) is a deuterated solvent. It is 100% isotopically enriched solvent for NMR (Nuclear Magnetic Resonance). It is widely employed in high resolution NMR studies. Various thermodynamic properties (such as intermolecular vibrational frequencies, energy of the hydrogen bond, free energy, enthalpy and entropy) of liquid deuterium oxide have been evaluated. Ionization constant for D2O (in the range of 5-50°C), pK values (at 25°C) and enthalpy, entropy, heat capacity change (for the dissociation of D2O) have been reported.

Packaging

10×0.75, 10×1 mL in ampule
125 g in Sure/Seal™
250 g in glass bottle
1 kg in glass bottle
10, 50 g in glass bottle

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

A D Fortes
Physical chemistry chemical physics : PCCP, 21(16), 8264-8274 (2019-04-04)
Water ice is one of the most fundamental and well-studied molecular solids, which continues to provide surprising and useful insights into its emergent complexity as ever more precise experimental techniques are applied. Using one of the highest resolution neutron powder
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)
The ionization constant of deuterium oxide from 5 to 50?.
Covington AK, et al.
The Journal of Physical Chemistry, 70(12), 3820-3824 (1966)
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)
Liset Westera et al.
Blood, 122(13), 2205-2212 (2013-08-16)
Quantitative knowledge of the turnover of different leukocyte populations is a key to our understanding of immune function in health and disease. Much progress has been made thanks to the introduction of stable isotope labeling, the state-of-the-art technique for in

Related Content

Nuclear Magnetic Resonance (NMR)

NMR spectroscopy is an analytic technique to determine molecular structure, chemical composition and purity. NMR detects the energy absorbed due to nuclear spin states in the presence of a strong magnetic field.

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