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| CAS No.: | 24493-21-8 |
|---|---|
| Name: | 2,2,3,3-D4-3-(TRIMETHYLSILYL)PROPIONIC ACID SODIUM SALT |
| Molecular Structure: | |
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|
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| Formula: | C6H9D4NaO2Si |
| Molecular Weight: | 172.212 |
| Synonyms: | Propanoic-2,2,3,3-d4acid, 3-(trimethylsilyl)-, sodium salt (9CI);Propionic-2,2,3,3-d4 acid,3-(trimethylsilyl)-, sodium salt (8CI);Sodium3-(trimethylsilyl)propionate-2,2,3,3-d4; |
| EINECS: | 246-286-2 |
| Melting Point: | 300 °C |
| Boiling Point: | 223.6 °C at 760 mmHg |
| Flash Point: | 89 °C |
| Solubility: | Soluble in water. |
| Appearance: | White powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 40.13000 |
| LogP: | 0.46460 |
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Specification
The Propionic-2,2,3,3-d4 acid, 3-(trimethylsilyl)-, sodium salt (1:1) is an organic compound with the formula C6H9D4NaO2Si. The IUPAC name of this chemical is sodium 2,2,3,3-tetradeuterio-3-trimethylsilylpropanoate. With the CAS registry number 24493-21-8, it is also named as Sodium 3-(trimethylsilyl)(2H4)propanoate. Besides, it should be stored in a closed cool and dry place.
Physical properties about Propionic-2,2,3,3-d4 acid, 3-(trimethylsilyl)-, sodium salt (1:1) are: (1)ACD/LogP: 1.80; (2)ACD/LogD (pH 5.5): 1.16; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 3.14; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 51.97; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.3 Å2; (12)Flash Point: 89 °C; (13)Enthalpy of Vaporization: 50.69 kJ/mol; (14)Boiling Point: 223.6 °C at 760 mmHg; (15)Vapour Pressure: 0.0351 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[2H]C([2H])(C([O-])=O)C([2H])([2H])[Si](C)(C)C
(2)InChI: InChI=1/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1/i4D2,5D2;
(3)InChIKey: OIIWPAYIXDCDNL-AFPAPCKBEN
(4)Std. InChI: InChI=1S/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1/i4D2,5D2;
(5)Std. InChIKey: OIIWPAYIXDCDNL-HGFPCDIYSA-M