Acetic acid, 2-(methylsulfonyl)-, methyl ester CAS NO.62020-09-1

This chemical is called Acetic acid, 2-(methylsulfonyl)-, methyl ester, and its systematic name is methyl (methylsulfonyl)acetate. With the molecular formula of C₄H₈O₄S, its molecular weight is 152.17. The CAS registry number of this chemical is 62020-09-1. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Acetic acid, 2-(methylsulfonyl)-, methyl ester can be summarised as followings: (1)ACD/LogP: -0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.17; (8)ACD/KOC (pH 7.4): 9.17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.82 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 31.23 cm³; (15)Molar Volume: 119 cm³; (16)Polarizability: 12.38×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.277 g/cm³; (19)Flash Point: 133 °C; (20)Enthalpy of Vaporization: 53.61 kJ/mol; (21)Boiling Point: 296.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00145 mmHg at 25°C.

Production method of this chemical: The could be obtained by the reactants of chloroacetic acid methyl ester and methanesulfinic acid; sodium salt. This reaction needs the solvent of ethanol. The yield is 76 %. In addition, this reaction should be taken for 18 hours. The other condition is heating.

Uses of this chemical: The Acetic acid, 2-(methylsulfonyl)-, methyl ester could react with benzoyl chloride, and obtain the 2-methanesulfonyl-3-oxo-3-phenyl-propionic acid methyl ester. This reaction needs the reagent of NaH, and the solvent of tetrahydrofuran. The yield is 30 %.

When you are using this chemical, please be cautious about it as the following: Don't breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC)CS(=O)(=O)C
2.InChI: InChI=1/C4H8O4S/c1-8-4(5)3-9(2,6)7/h3H2,1-2H3
3.InChIKey: RQKDASVRZONLNQ-UHFFFAOYAR

This chemical is called Acetic acid, 2-(methylsulfonyl)-, methyl ester, and its systematic name is methyl (methylsulfonyl)acetate. With the molecular formula of C₄H₈O₄S, its molecular weight is 152.17. The CAS registry number of this chemical is 62020-09-1. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Acetic acid, 2-(methylsulfonyl)-, methyl ester can be summarised as followings: (1)ACD/LogP: -0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.17; (8)ACD/KOC (pH 7.4): 9.17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.82 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 31.23 cm³; (15)Molar Volume: 119 cm³; (16)Polarizability: 12.38×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.277 g/cm³; (19)Flash Point: 133 °C; (20)Enthalpy of Vaporization: 53.61 kJ/mol; (21)Boiling Point: 296.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00145 mmHg at 25°C.

Production method of this chemical: The could be obtained by the reactants of chloroacetic acid methyl ester and methanesulfinic acid; sodium salt. This reaction needs the solvent of ethanol. The yield is 76 %. In addition, this reaction should be taken for 18 hours. The other condition is heating.

Uses of this chemical: The Acetic acid, 2-(methylsulfonyl)-, methyl ester could react with benzoyl chloride, and obtain the 2-methanesulfonyl-3-oxo-3-phenyl-propionic acid methyl ester. This reaction needs the reagent of NaH, and the solvent of tetrahydrofuran. The yield is 30 %.

When you are using this chemical, please be cautious about it as the following: Don't breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC)CS(=O)(=O)C
2.InChI: InChI=1/C4H8O4S/c1-8-4(5)3-9(2,6)7/h3H2,1-2H3
3.InChIKey: RQKDASVRZONLNQ-UHFFFAOYAR