Deuterium oxide
ALDRICH/191701 - "100%", 99.990 atom % D
Synonym: Heavy water; Water-d2
CAS Number: 7789-20-0
Empirical Formula (Hill Notation): D2O
Molecular Weight: 20.03
EC Number: 232-148-9
MDL Number: MFCD00044636
Linear Formula: D2O
Product Type: Chemical
| bp | 101.4 °C (lit.) |
| form | liquid |
| InChI | 1S/H2O/h1H2/i/hD2 |
| InChI key | XLYOFNOQVPJJNP-ZSJDYOACSA |
| isotopic purity | 99.990 atom % D |
| mp | 3.8 °C (lit.) |
| Quality Level | 200  |
| SMILES string | [2H]O[2H] |
| technique(s) | NMR: suitable |
| Application: | 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 (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. |
| Packaging: | 10 g in ampule |
| Packaging: | 10×0.25, 10×0.5 mL in ampule |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| bp | 101.4 °C (lit.) |
| mp | 3.8 °C (lit.) |
| UNSPSC | 12142201 |