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Acetaldehyde-1,2,2,2-d4

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Name

Acetaldehyde-1,2,2,2-d4

EINECS 216-641-6
CAS No. 1632-89-9 Density 0.816 g/cm3
PSA 17.07000 LogP 0.20520
Solubility Miscible with water Melting Point -125 °C(lit.)
Formula C2D4O Boiling Point 18.6 °C at 760 mmHg
Molecular Weight 48.0214 Flash Point −17 °F
Transport Information N/A Appearance Clear colorless liquid
Safety 16-33-36/37 Risk Codes 12-36/37-40
Molecular Structure Molecular Structure of 1632-89-9 (ACETALDEHYDE-D4) Hazard Symbols HighlyF+, HarmfulXn
Synonyms

Acetaldehyde-d4(6CI,7CI,8CI,9CI);Tetradeuteroacetaldehyde;Perdeuterioacetaldehyde;Ethanal-d4;Perdeuteroacetaldehyde;

Article Data 12

Acetaldehyde-1,2,2,2-d4 Specification

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

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