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Merck

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:
7789-20-0
Molecular Weight:
20.03
NACRES:
NA.21
PubChem Substance ID:
24849176
UNSPSC Code:
12142201
EC Number:
232-148-9
MDL number:
MFCD00044636
technique(s):
NMR: suitable
bio NMR: suitable
bp:
101.4 °C (lit.)

Product Name

Deuterium oxide, 99.9 atom % D

InChI key

XLYOFNOQVPJJNP-ZSJDYOACSA-N

InChI

1S/H2O/h1H2/i/hD2

SMILES string

[2H]O[2H]

isotopic purity

99.9 atom % D

form

liquid

technique(s)

NMR: suitable
bio NMR: suitable

bp

101.4 °C (lit.)

mp

3.8 °C (lit.)

storage temp.

room temp

Quality Level

200

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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.

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.

Other Notes

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Storage Class

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
MKCZ9599
MKCZ8082
MKCX9567
MKCX9566
MKCX9565

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  1. Which document(s) contains shelf-life or expiration date information for a given product?

    If available for a given product, the recommended re-test date or the expiration date can be found on the Certificate of Analysis.

  2. How do I get lot-specific information or a Certificate of Analysis?

    The lot specific COA document can be found by entering the lot number above under the "Documents" section.

  3. How should I store Product 151882, Deuterium oxide, to preserve its purity?

    According to our MSDS, deuterium oxide is classified as hygroscopic and should be stored under an inert gas like nitrogen, to prevent hydrogenated water uptake.

  4. I don't have the ability to store Product 151882, Deuterium oxide, under nitrogen to prevent H2O uptake. Is there another way that I can work with D20 in order to preserve its purity?

    You may be interested in our ampulized deuterium oxide products: 521965 (10x0.6mL), 441376 (10x0.75mL) or 269794 (10x1mL). These products are ideal for one time use applications, like as an NMR solvent, because there is decreased chance of water uptake during storage.

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    There are several ways to find pricing and availability for our products. Once you log onto our website, you will find the price and availability displayed on the product detail page. You can contact any of our Customer Sales and Service offices to receive a quote.  USA customers:  1-800-325-3010 or view local office numbers.

  6. What is the Department of Transportation shipping information for this product?

    Transportation information can be found in Section 14 of the product's (M)SDS.To access the shipping information for this material, use the link on the product detail page for the product. 

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