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| CAS No.: | 10090-05-8 |
|---|---|
| Name: | TRIMETHYLSILYL METHANESULFONATE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C4H12O3SSi |
| Molecular Weight: | 168.289 |
| Synonyms: | Silanol,trimethyl-, methanesulfonate (7CI,8CI,9CI);Methanesulfonic acid trimethylsilylester;Trimethylsilyl mesylate;Trimethylsilylmethylsulfonate; |
| EINECS: | 233-220-2 |
| Density: | 1.067 g/cm3 |
| Melting Point: | 103-104 °C |
| Boiling Point: | 209.8 °C at 760 mmHg |
| Flash Point: | 66.7 °C |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 23-24/25 |
| Transport Information: | UN 3272 3/PG 2 |
| PSA: | 51.75000 |
| LogP: | 1.87830 |
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Specification
The systematic name of this chemical is trimethylsilyl methanesulfonate. With the CAS registry number 10090-05-8 and EINECS 233-220-2, it is also named as Silanol, trimethyl-, methanesulfonate. The product's categories are Protecting and Derivatizing Reagents; Protection and Derivatization; Silicon-Based. It is dark yllow liquid which should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.46; (6)ACD/BCF (pH 7.4): 3.46; (7)ACD/KOC (pH 5.5): 84.69; (8)ACD/KOC (pH 7.4): 84.69; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.419; (13)Molar Refractivity: 39.87 cm3; (14)Molar Volume: 157.6 cm3; (15)Polarizability: 15.8×10-24 cm3; (16)Surface Tension: 25.1 dyne/cm; (17)Enthalpy of Vaporization: 42.79 kJ/mol; (18)Vapour Pressure: 0.287 mmHg at 25°C.
Preparation of Trimethylsilyl methanesulfonate: It can be obtained by methanesulfonic acid methyl ester and bromo-trimethyl-silane. This reaction needs heating for 6 hours. The yield is 96.5%.
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Uses of Trimethylsilyl methanesulfonate: It can react with methylsulfanyl-acetonitrile to get cyano(methylthio)methyltrimethylsilane. This reaction needs reagent Et3N and solvent diethyl ether at temperature of 0-5 °C. The reaction time is 3 hours. The yield is 85%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable. When use it, people should not breathe vapour and avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(O[Si](C)(C)C)C
2. InChI:InChI=1/C4H12O3SSi/c1-8(5,6)7-9(2,3)4/h1-4H3
3. InChIKey:BCHASIUOFGDRIO-UHFFFAOYAY