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| CAS No.: | 400-53-3 |
|---|---|
| Name: | TRIMETHYLSILYL TRIFLUOROACETATE |
| Article Data: | 28 |
| Molecular Structure: | |
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|
|
| Formula: | C5H9F3O2Si |
| Molecular Weight: | 186.206 |
| Synonyms: | Silanol, trimethyl-,trifluoroacetate (8CI);Aceticacid, trifluoro-, trimethylsilyl ester (7CI,8CI,9CI);(Trifluoroacetoxy)trimethylsilane;Trimethyl(trifluoroacetato)silane;Trimethyl(trifluoroacetoxy)silane;Trimethylsilyl trifluoroacetate; |
| EINECS: | 206-923-7 |
| Density: | 1.117 g/cm3 |
| Boiling Point: | 89 °C at 760 mmHg |
| Flash Point: | °C |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-34-37 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 2924 3/PG 2 |
| PSA: | 26.30000 |
| LogP: | 1.92680 |
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Specification
The CAS register number of Acetic acid,2,2,2-trifluoro-, trimethylsilyl ester is 400-53-3. It also can be called as Acetic acid, trifluoro-, trimethylsilyl ester and the systematic name about this chemical is trimethylsilyl trifluoroacetate. The molecular formula about this chemical is C5H9F3O2Si and the molecular weight is 186.2.
Physical properties about Acetic acid,2,2,2-trifluoro-, trimethylsilyl ester are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.76; (4)ACD/BCF (pH 5.5): 73.46; (5)ACD/BCF (pH 7.4): 73.46; (6)ACD/KOC (pH 5.5): 753.97; (7)ACD/KOC (pH 7.4): 753.97; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.353; (12)Molar Refractivity: 36.16 cm3; (13)Molar Volume: 166.6 cm3; (14)Polarizability: 14.33x10-24cm3; (15)Surface Tension: 17 dyne/cm; (16)Enthalpy of Vaporization: 32.91 kJ/mol; (17)Boiling Point: 89 °C at 760 mmHg; (18)Vapour Pressure: 59.7 mmHg at 25°C.
Preparation: this chemical can be prepared by trifluoroacetic acid and chloro-trimethyl-silane at heating. The reaction time is 2 hour(s). The yield is about 79.9%.
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Uses of Acetic acid,2,2,2-trifluoro-, trimethylsilyl ester: it can be used to produce trifluoro-1,1,1 cyclohexyl-3 trimehylsilyloxy-2 propene-2 with Cyclohexylmethylen-triphenyl-phosphoran at heating. This reaction will need solvent benzene. The yield is about 46%.
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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 respiratory system. It can cause burns. If you want to use this chemical, please keep away from sources of ignition. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)O[Si](C)(C)C
(2)InChI: InChI=1/C5H9F3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3
(3)InChIKey: VIYXXANHGYSBLY-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H9F3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3
(5)Std. InChIKey: VIYXXANHGYSBLY-UHFFFAOYSA-N