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| CAS No.: | 66130-90-3 |
|---|---|
| Name: | TRIMETHYLSILYL DIETHYLPHOSPHONOACETATE |
| Molecular Structure: | |
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|
|
| Formula: | C9H21O5PSi |
| Molecular Weight: | 268.322 |
| Synonyms: | Diethyl trimethylsilyl ester;Diethyl[(trimethylsilyloxycarbonyl)methyl]phosphonate;Trimethylsilyldiethylphosphonoacetate; |
| EINECS: | 266-171-0 |
| Density: | 1.059 g/cm3 |
| Boiling Point: | 283 °C at 760 mmHg |
| Flash Point: | 125 °C |
| Appearance: | Pale yellow liquid |
| Hazard Symbols: |
 F， Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 71.64000 |
| LogP: | 2.63060 |
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Specification
The CAS register number of Aceticacid, 2-(diethoxyphosphinyl)-, trimethylsilyl ester is 66130-90-3. It also can be called as Diethyl[(trimethylsilyloxycarbonyl)methyl]phosphonate and the systematic name about this chemical is trimethylsilyl (diethoxyphosphoryl)acetate. The molecular formula about this chemical is C9H21O5PSi and the molecular weight is 268.32.
Physical properties about Aceticacid, 2-(diethoxyphosphinyl)-, trimethylsilyl ester are: (1)ACD/LogP: 1.44; (2)ACD/LogD (pH 5.5): 1.44; (3)ACD/LogD (pH 7.4): 1.44; (4)ACD/BCF (pH 5.5): 7.36; (5)ACD/BCF (pH 7.4): 7.36; (6)ACD/KOC (pH 5.5): 145.32; (7)ACD/KOC (pH 7.4): 145.32; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 71.64 Å2; (11)Index of Refraction: 1.423; (12)Molar Refractivity: 64.6 cm3; (13)Molar Volume: 253.1 cm3; (14)Polarizability: 25.6x10-24cm3; (15)Surface Tension: 28.6 dyne/cm; (16)Density: 1.059 g/cm3; (17)Flash Point: 125 °C; (18)Enthalpy of Vaporization: 52.19 kJ/mol; (19)Boiling Point: 283 °C at 760 mmHg; (20)Vapour Pressure: 0.00324 mmHg at 25 °C.
Uses of Aceticacid, 2-(diethoxyphosphinyl)-, trimethylsilyl ester: it can be used to produce deca-2t,4t-dienoic acid with oct-2t-enal. This reaction will need reagent of n-BuLi and solvent of tetrahydrofuran and benzene. The reaction time is 1.5 hours with reaction temperature of 20 °C. The yield is about 83%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. When you are using it, keep away from sources of ignition. 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: O=C(O[Si](C)(C)C)CP(=O)(OCC)OCC
(2)InChI: InChI=1/C9H21O5PSi/c1-6-12-15(11,13-7-2)8-9(10)14-16(3,4)5/h6-8H2,1-5H3
(3)InChIKey: VHIDZGBMGSRVHR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H21O5PSi/c1-6-12-15(11,13-7-2)8-9(10)14-16(3,4)5/h6-8H2,1-5H3
(5)Std. InChIKey: VHIDZGBMGSRVHR-UHFFFAOYSA-N