P-TOLYL VINYL SULPHONE

The Benzene,1-(ethenylsulfonyl)-4-methyl-, with the CAS registry number 5535-52-4, is also known as Sulfone, p-tolyl vinyl. This chemical's molecular formula is C₉H₁₀O₂S and molecular weight is 182.24. What's more, its IUPAC name is 1-ethenylsulfonyl-4-methylbenzene.

Physical properties of Benzene,1-(ethenylsulfonyl)-4-methyl- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.75; (6)ACD/BCF (pH 7.4): 10.75; (7)ACD/KOC (pH 5.5): 190.51; (8)ACD/KOC (pH 7.4): 190.51; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 49.21 cm³; (15)Molar Volume: 159 cm³; (16)Polarizability: 19.51×10^-24cm³; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.145 g/cm³; (19)Flash Point: 181.5 °C; (20)Enthalpy of Vaporization: 54.36 kJ/mol; (21)Boiling Point: 324.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000476 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-(toluene-4-sulfonyl)-ethanol by heating. This reaction will need reagent Et₃N and solvent CH₂Cl₂ with the reaction time of 24 hours. The yield is about 52%.

Uses of Benzene,1-(ethenylsulfonyl)-4-methyl-: it can be used to produce (1,2-dibromo-ethyl)-p-tolyl sulfone at the ambient temperature. It will need reagent bromine and solvent CCl₄ with the reaction time of 24 hours. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)\C=C
(2)Std. InChI: InChI=1S/C9H10O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
(3)Std. InChIKey: VZQFRPMWVXCURA-UHFFFAOYSA-N