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| CAS No.: | 14493-42-6 |
|---|---|
| Name: | SUCCINIC-D4 ACID |
| Molecular Structure: | |
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| Formula: | C4H2D4O4 |
| Molecular Weight: | 122.11 |
| Synonyms: | Butanedioic-d4acid (9CI);Succinic-d4 acid (6CI,7CI,8CI);2,2,3,3-Tetradeuteriosuccinic acid;d4-Succinic acid; |
| Density: | 1.456 g/cm3 |
| Melting Point: | 187-190 °C(lit.) |
| Boiling Point: | 236.1 °C at 760 mmHg |
| Flash Point: | 110.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38-41 |
| Safety: | 26-36 |
| PSA: | 74.60000 |
| LogP: | -0.06420 |
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Specification
The Butanedioic-2,2,3,3-d4 acid, with the CAS registry number 14493-42-6, is also known as Succinic acid-2,2,3,3-d4. This chemical's molecular formula is C4H2D4O4 and molecular weight is 122.11. Its systematic name is called 2,2,3,3-tetradeuteriobutanedioic acid. The product should be sealed and stored in cool and dry place.
Physical properties of Butanedioic-2,2,3,3-d4 acid: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.477; (5)Molar Refractivity: 23.7 cm3; (6)Molar Volume: 83.8 cm3; (7)Surface Tension: 61.6 dyne/cm; (8)Density: 1.456 g/cm3; (9)Flash Point: 110.9 °C; (10)Enthalpy of Vaporization: 52.09 kJ/mol; (11)Boiling Point: 236.1 °C at 760 mmHg; (12)Vapour Pressure: 0.0165 mmHg at 25°C.
Uses of Butanedioic-2,2,3,3-d4 acid: it can be used to produce 2,2,3,3-tetradeuterio-succinic acid dimethyl ester at ambient temperature. This reaction will need reagent Et3N and solvent CH2Cl2 with reaction time of 2 hours. The yield is about 68%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(C(O)=O)C([2H])([2H])C(O)=O
(2)InChI: InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1D2,2D2
(3)InChIKey: KDYFGRWQOYBRFD-LNLMKGTHEH