BENZYL METHYL SULFONE

The CAS register number of Benzene,[(methylsulfonyl)methyl]- is 3112-90-1. It also can be called as alpha-(Methylsulphonyl)toluene and the systematic name about this chemical is [(methylsulfonyl)methyl]benzene. The molecular formula about this chemical is C₈H₁₀O₂S and the molecular weight is 170.23.

Physical properties about Benzene,[(methylsulfonyl)methyl]- are: (1)ACD/LogP: 0.69; (2)ACD/LogD (pH 5.5): 0.69; (3)ACD/LogD (pH 7.4): 0.69; (4)ACD/BCF (pH 5.5): 1.97; (5)ACD/BCF (pH 7.4): 1.97; (6)ACD/KOC (pH 5.5): 56.46; (7)ACD/KOC (pH 7.4): 56.46; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 42.52Ų; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 44.82 cm³; (13)Molar Volume: 143.2 cm³; (14)Polarizability: 17.77x10^-24cm³; (15)Surface Tension: 43 dyne/cm; (16)Flash Point: 212.2 °C; (17)Enthalpy of Vaporization: 56.93 kJ/mol; (18)Boiling Point: 348.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000102 mmHg at 25°C.

Preparation:Preparation: this chemical can be prepared by phenylmethanesulfonyl-acetic acid. The reaction temperature is 180 - 190 ℃.

Uses of Benzene,[(methylsulfonyl)methyl]-: it can be used to produce a-methylbenzyl 2-methoxycarbonylpropan-2-yl sulfone and [1-(propane-2-sulfonyl)-ethyl]-benzene with carbonic acid dimethyl ester at temperature of 180 ℃. This reaction will need reagent K₂CO₃ with reaction time of 21.5 hours. The yield is about 14%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. 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.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Cc1ccccc1)C
(2)InChI: InChI=1/C8H10O2S/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
(3)InChIKey: BEARMXYKACECDH-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H10O2S/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
(5)Std. InChIKey: BEARMXYKACECDH-UHFFFAOYSA-N