ACETALDEHYDE-D4

The Acetaldehyde-1,2,2,2-d4 is an organic compound with the formula C₂D₄O. The IUPAC name of this chemical is 1,2,2,2-Tetradeuterioethanone. With the CAS registry number 1632-89-9, it is also named as Tetradeuteroacetaldehyde. Besides, it is clear colorless liquid, which should be stored at -20 °C, and in a sealed, dry, cool place with dry inert gas.

Physical properties about Acetaldehyde-1,2,2,2-d4 are: (1)ACD/LogP: -0.16; (2)ACD/LogD (pH 5.5): -0.16; (3)ACD/LogD (pH 7.4): -0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.58; (7)ACD/KOC (pH 7.4): 19.58; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å²; (10)Index of Refraction: 1.314; (11)Molar Refractivity: 11.5 cm³; (12)Molar Volume: 58.8 cm³; (13)Polarizability: 4.55×10^-24 cm³; (14)Surface Tension: 17.6 dyne/cm; (15)Density: 0.816 g/cm³; (16)Enthalpy of Vaporization: 25.76 kJ/mol; (17)Boiling Point: 18.6 °C at 760 mmHg; (18)Vapour Pressure: 965 mmHg at 25 °C.

Preparation: this chemical can be prepared by Ethyl-d5 phenylglyoxylate. This reaction will need solvent Benzene. The reaction temperature is 25 °C. The yield is about 38%.

Uses of Acetaldehyde-1,2,2,2-d4: it can be used to produce C₈H₂D₄N₄O at ambient temperature. It will need reagent Pyridinium formate and solvent Acetonitrile with reaction time of 2 hours. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
It is extremely flammable. The limited evidence evidences that this chemical has a carcinogenic effect. Besides, this chemical is irritating to eyes, respiratory system. When you are using it, keep away from sources of ignition - No smoking and take precautionary measures against static discharges. Wear suitable protective clothing, gloves.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C2H4O/c1-2-3/h2H,1H3/i1D3,2D 
(2)InChIKey: IKHGUXGNUITLKF-MZCSYVLQEK
(3)Std. InChI: InChI=1S/C2H4O/c1-2-3/h2H,1H3/i1D3,2D
(4)Std. InChIKey: IKHGUXGNUITLKF-MZCSYVLQSA-N