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7789-20-0

Basic Information
CAS No.: 7789-20-0
Name: DEUTERIUM OXIDE
Article Data: 111
Molecular Structure:
Molecular Structure of 7789-20-0 (DEUTERIUM OXIDE)
Formula: D2O
Molecular Weight: 19.9994
Synonyms: Water,heavy (D2O) (8CI);Deuterium oxide;Deuterium oxide (D2O);Deuterium oxide-d2;Dideuterium monoxide;Dideuterium oxide;Heavy water;Heavy water (D2O);Heavywater-d2;Water-2H2;
EINECS: 232-148-9
Density: 1.11 g/cm3
Melting Point: 3.8 °C(lit.)
Boiling Point: 100 °C at 760 mmHg
Flash Point: 101.4 °C
Solubility: Miscible with water.
Appearance: colourless liquid
Safety: 24/25
PSA: 9.23000
LogP: -0.06430
Synthetic route
13587-54-7

deuteroxyl

13587-52-5

nitric acid-d1

A

7789-20-0

water-d2

B

12033-49-7, 807306-99-6

nitrate radical

Conditions
ConditionsYield
In gaseous matrix Kinetics; Irradiation (UV/VIS); photolysis in Pyrex vessel, gas flow velocity: 5-10 cms**-1, T: 239.7-, 370.1 K, p: 20-199.7 Torr, buffer gas: He, SF6;A n/a
B 0.95%
In neat (no solvent) Kinetics; 263-446 K, 1-20 Torr;
With sulfur(VI) hexafluoride In neat (no solvent) Kinetics; 263-446 K, 1-107 Torr;

2Na(1+)*SO4(2-)*10(2)H2O=Na2SO4*10(2)H2O

A

7789-20-0

water-d2

B

7757-82-6

sodium sulfate

Conditions
ConditionsYield
In not given 34.2°C;;
16873-17-9

deuterium

7789-20-0

water-d2

Conditions
ConditionsYield
In not given byproducts: H(2)H; equilibrium constant discussed;;
In not given byproducts: (2)HH; equilibrium constant discussed;;
In not given byproducts: (2)HH; equilibrium discussed;;
In not given byproducts: (2)HH; equilibrium constant discussed;;
16873-17-9

deuterium

A

1333-74-0

hydrogen

B

7789-20-0

water-d2

Conditions
ConditionsYield
In neat (no solvent, gas phase) hydrogen-isotope-exchange reaction studied in electrochem. double cells;
16873-17-9

deuterium

7789-20-0

water-d2

Conditions
ConditionsYield
In not given byproducts: H2; thermodynamic data discussed;;
With catalyst: Pd on activated charcoal; In neat (no solvent)
In not given byproducts: H; equilibrium constant discussed;;
7783-06-4

hydrogen sulfide

7789-20-0

water-d2

Conditions
ConditionsYield
production of D2O by H/D exchange;
production of D2O by H/D exchange;
17693-79-7

hydroxide ion-d1

deuterium cation

7789-20-0

water-d2

Conditions
ConditionsYield
In not given Kinetics;
In not given Kinetics;
920-42-3

dideuterioformic acid

A

201230-82-2

carbon monoxide

B

7789-20-0

water-d2

Conditions
ConditionsYield
rutile In neat (no solvent) Kinetics; byproducts: formaldehyde, CO2, (2)H2; other Radiation; decompn. on stoch. and defective surfaces of TiO2(110) rutile single crystal at 400-613 K; yields of CO and (2)H2O were about 60 %; (2)H2CO and CO2 - about 10 %; (2)H2 -about 2 %; detd. by TPRS;
1345-25-1

iron(II) oxide

16873-17-9

deuterium

7789-20-0

water-d2

Conditions
ConditionsYield
In not given byproducts: Fe; equilibrium constant discussed;;
Conditions
ConditionsYield
In solid pressurizing (77 K, 15 kbar), releasing pressure (liq. N2), transferring(aluminium container), evacuating (20 mbar), cooling (5 or 15 K);
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History

In the year 1931, Harold Urey discovered the isotope deuterium and was later able to concentrate it in water. Urey's mentor Gilbert Newton Lewis isolated the first sample of pure heavy water by electrolysis in 1933. George de Hevesy and Hoffer used heavy water in 1934 in one of the first biological tracer experiments, to estimate the rate of turnover of water in the human body. The history of large-quantity production and use of heavy water in early nuclear experiments is given below.

Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Specification

The Heavy water with CAS registry number of 7789-20-0 is also known as Deuterium oxide. The IUPAC name is (2H2)water. It belongs to product categories of Inorganics; Heavy Water (Deuterium Oxide); Alphabetical Listings; D; Stable Isotopes. Its EINECS registry number is 232-148-9. In addition, the formula is D2O and the molecular weight is 20.03. The chemical is a colourless liquid and should be stored in sealed containers in cool, dry place. What's more, it is obtained by liquid hydrogen distillation. During using it, avoid contact with skin and eyes.

Physical properties about Heavy water are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)Index of Refraction: 1.329; (6)Molar Refractivity: 3.676 cm3; (7)Molar Volume: 18.045 cm3; (8)Polarizability: 1.457×10-24cm3; (9)Surface Tension: 72.269 dyne/cm; (10)Density: 1.11 g/cm3; (11)Enthalpy of Vaporization: 40.65 kJ/mol; (12)Boiling Point: 100 °C at 760 mmHg; (13)Vapour Pressure: 24.475 mmHg at 25 °C.

Uses of Heavy water: it is used in nuclear magnetic resonance spectroscopy when the solvent of interest is water and the nuclide of interest is hydrogen. It is often used as the source of deuterium for preparing specifically labelled isotopologs of organic compounds and used instead of water when collecting FTIR spectra of proteins in solution. What's more, it is used in certain types of nuclear reactors where it acts as a neutron moderator to slow down neutrons.

You can still convert the following datas into molecular structure:
1. SMILES: [2H]O[2H]
2. InChI: InChI=1/H2O/h1H2/i/hD2
3. InChIKey: XLYOFNOQVPJJNP-ZSJDYOACEI
4. Std. InChI: InChI=1S/H2O/h1H2/i/hD2
5. Std. InChIKey: XLYOFNOQVPJJNP-ZSJDYOACSA-N