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| CAS No.: | 1632-89-9 |
|---|---|
| Name: | ACETALDEHYDE-D4 |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C2D4O |
| Molecular Weight: | 48.0214 |
| Synonyms: | Acetaldehyde-d4(6CI,7CI,8CI,9CI);Tetradeuteroacetaldehyde;Perdeuterioacetaldehyde;Ethanal-d4;Perdeuteroacetaldehyde; |
| EINECS: | 216-641-6 |
| Density: | 0.816 g/cm3 |
| Melting Point: | -125 °C(lit.) |
| Boiling Point: | 18.6 °C at 760 mmHg |
| Flash Point: | −17 °F |
| Solubility: | Miscible with water |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
 F+,  Xn
|
| Risk Codes: | 12-36/37-40 |
| Safety: | 16-33-36/37 |
| PSA: | 17.07000 |
| LogP: | 0.20520 |
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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%.
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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%.
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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