Merck
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191701

Sigma-Aldrich

Deuterium oxide

"100%", 99.990 atom % D

Sinónimos:
Heavy water, Water-d2
Empirical Formula (Hill Notation):
D2O
Número de CAS:
Peso molecular:
20.03
Número de EC:
Número MDL:
ID de la sustancia en PubChem:
NACRES:
NA.21

Nivel de calidad

200

pureza isotópica

99.990 atom % D

formulario

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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Descripción general

Deuterium oxide (D2O) is a 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. 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.

Aplicación

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.

Envase

10 g in ampule
10×0.25, 10×0.5 mL in ampule

Código de clase de almacenamiento

12 - Non Combustible Liquids

WGK

WGK 3

Punto de inflamabilidad F

Not applicable

Punto de inflamabilidad C

Not applicable

Certificado de Análisis

Introduzca el número de lote para buscar un certificado de análisis (COA).

Certificado de origen

Introduzca el número de lote para buscar un Certificado de origen (COO).

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)
The ionization constant of deuterium oxide from 5 to 50?.
Covington AK, et al.
The Journal of Physical Chemistry, 70(12), 3820-3824 (1966)
Reduction of alkynes into 1, 2-dideuterioalkenes with hexamethyldisilane and deuterium oxide in the presence of a palladium catalyst.
Shirakawa E, et al.
Chemical Communications (Cambridge, England), 47, 5885-5886 (2005)

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