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151882

Sigma-Aldrich

Deuterium oxide

99.9 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:
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

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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.

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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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP5525
STBK6082
STBK6081
STBK6079
STBK6080

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Sigma-Aldrich

151823

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Ruthenium-Catalyzed Regioselective Deuteration of Alcohols at the ?-Carbon Position with Deuterium Oxide.
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Useful NMR solvent mixture for polyesters: Trifluoroacetic acid-d/chloroform-d.
Hariharan R and Pinkus AG.
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Understanding metabolism is indispensable in unraveling the mechanistic basis of many physiological and pathological processes. However, in situ metabolic imaging tools are still lacking. Here we introduce a framework for mid-infrared (MIR) metabolic imaging by coupling the emerging high-information-throughput MIR
The ionization constant of deuterium oxide from 5 to 50?.
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The Journal of Physical Chemistry, 70(12), 3820-3824 (1966)
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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.

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Nuclear Magnetic Resonance (NMR)

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