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CAS No.: | 25436-07-1 |
---|---|
Name: | TRIMETHYLSILYL TRICHLOROACETATE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C5H9Cl3O2Si |
Molecular Weight: | 235.57 |
Synonyms: | Aceticacid, trichloro-, trimethylsilyl ester (8CI,9CI);Silanol, trimethyl-,trichloroacetate (8CI);Trimethylsilyl trichloroacetate; |
EINECS: | 246-980-5 |
Density: | 1.276 g/cm3 |
Boiling Point: | 184.7 °C at 760 mmHg |
Flash Point: | 44.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 10-20/21/22-36/37/38 |
Safety: | 26-36 |
PSA: | 26.30000 |
LogP: | 2.73470 |
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This chemical is called Trimethylsilyl trichloroacetate, and its CAS registry number is 25436-07-1. With the molecular formula of C5H9Cl3O2Si, its molecular weight is 235.57.
Other characteristics of the Trimethylsilyl trichloroacetate can be summarised as followings: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 151.38; (6)ACD/BCF (pH 7.4): 151.38; (7)ACD/KOC (pH 5.5): 1265.06; (8)ACD/KOC (pH 7.4): 1265.06; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 50.21 cm3; (15)Molar Volume: 184.4 cm3; (16)Polarizability: 19.9×10-24cm3; (17)Surface Tension: 28.2 dyne/cm; (18)Density: 1.276 g/cm3; (19)Flash Point: 44.7 °C; (20)Enthalpy of Vaporization: 42.09 kJ/mol; (21)Boiling Point: 184.7 °C at 760 mmHg; (22)Vapour Pressure: 0.723 mmHg at 25°C.
Production method of this chemical: The Trimethylsilyl trichloroacetate could be obtained by the reactants of trichloroacetic acid and chloro-trimethyl-silane. This reaction needs the reagent of Py.
Uses of this chemical: The Trimethylsilyl trichloroacetate could react with 1H-imidazole, and obtain the 1-trimethylsilanyl-1H-imidazole. This reaction needs the reagent of potassium carbonate, 18-crown-6. The yield is 80 %. In addition, this reaction should be taken for 3 hours at the temperature of 110 °C.
When you are using this chemical, please be cautious about it as the following: This chemical is flammable. Keep it away from the source of ignition. It's irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: ClC(Cl)(Cl)C(=O)O[Si](C)(C)C
2.InChI: InChI=1/C5H9Cl3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3
3.InChIKey: HAIZQIKYAKUOBN-UHFFFAOYAH