151882
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:
Molecular Weight:
20.03
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21
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isotopic purity
99.9 atom % D
Quality Level
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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Storage Class Code
12 - Non Combustible Liquids
WGK
nwg
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
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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)
Useful NMR solvent mixture for polyesters: Trifluoroacetic acid-d/chloroform-d.
Hariharan R and Pinkus AG.
Polym. Bull., 30(1), 91-95 (1993)
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)
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
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