Skip to Content
Merck
All Photos(7)

Key Documents

View All Documentation

151882

Sigma-Aldrich

Deuterium oxide

99.9 atom % D

Synonym(s):

Heavy water, Water-d2

Sign Into View Organizational & Contract Pricing
All Photos(7)

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:
24849176
NACRES:
NA.21

isotopic purity

99.9 atom % D

Quality Level

200

form

liquid

technique(s)

NMR: suitable
bio NMR: suitable

bp

101.4 °C (lit.)

mp

3.8 °C (lit.)

storage temp.

room temp

SMILES string

[2H]O[2H]

InChI

1S/H2O/h1H2/i/hD2

InChI key

XLYOFNOQVPJJNP-ZSJDYOACSA-N

Looking for similar products? Visit Product Comparison Guide

Related Categories

General description

Deuterium oxide, a deuterated solvent, is a standard prurity solvent for NMR (Nuclear Magnetic Resonance) analyses. 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.

Application

Deuterium oxide (Heavy water, Water-d2, D2O) has been used as solvent for the dissolution of internal standard and sample during quantification experiments by NMR. It has been used for the dissolution of tris(2,2′-bipyridyl)dichlororuthenium(II) hexahydrate Ru(bpy)3.4
Deuterium oxide may be used:
  • To prepare trifluoroacetic acid-d by reacting with trifluoroacetic anhydride.
  • As a deuteration agent for primary and secondary alcohols at the β-carbon position via H/D exchange reaction in the presence of ruthenium catalyst.
  • Along with hexamethyldisilane as a deuterium transfer reagent for alkynes to form (E)-1,2-dideuterioalkenes in the presence of a palladium complex.

Recommended products

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

also commonly purchased with this product

Product No.
Description
Pricing

Storage Class Code

12 - Non Combustible Liquids

WGK

nwg

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCW0193
MKCV9335
MKCV9333
MKCV9337
MKCS7513

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Muidh Alheshibri et al.
Journal of colloid and interface science, 537, 123-131 (2018-11-14)
Robust methods for differentiating long-lived nanobubbles from other nanoparticles are required. Evaluation of the density and compressibility of nanoparticles should enable nanobubbles to be differentiated from other nanoparticles, although the response of nanobubbles to pressure can be strongly influenced by
Ruthenium-Catalyzed Regioselective Deuteration of Alcohols at the ?-Carbon Position with Deuterium Oxide.
Tse SKS, et al.
Chemistry?A European Journal , 17(49), 13918-13925 (2011)
Ling Rong Wong et al.
Biomedicines, 8(12) (2020-12-16)
Accumulating evidence suggests that disruptions in brain energy metabolism may be a key player in the pathogenesis of Alzheimer's disease (AD). Pioglitazone (PIO) has been found to exert beneficial effects on metabolic dysfunction in many AD preclinical studies. However, limited
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)
View All Related Papers

Articles

NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

Related Content

Nuclear Magnetic Resonance (NMR)

NMR spectroscopy elucidates molecular structure and purity via nuclear spin states in a strong magnetic field.

Nuclear Magnetic Resonance (NMR)

NMR spectroscopy elucidates molecular structure and purity via nuclear spin states in a strong magnetic field.

Nuclear Magnetic Resonance (NMR)

NMR spectroscopy elucidates molecular structure and purity via nuclear spin states in a strong magnetic field.

Nuclear Magnetic Resonance (NMR)

NMR spectroscopy elucidates molecular structure and purity via nuclear spin states in a strong magnetic field.

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service