1-methyl-4-methylsulfonylbenzene Benzene,1-methyl-4-(methylsulfonyl)- factory Benzene,1-methyl-4-(methylsulfonyl)-
The Methyl p-tolyl sulfone, with the CAS registry number 3185-99-7, is also known as p-(Methylsulphonyl)toluene. It belongs to the product categories of Boron, Nitrile, Thio & TM-Cpds. Its EINECS registry number is 221-682-8. This chemical's molecular formula is C8H10O2S and molecular weight is 170.23. What's more, both its IUPAC name and systematic name are the same which is called 1-Methyl-4-methylsulfonylbenzene.
Physical properties about Methyl p-tolyl sulfone are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.16; (6)ACD/BCF (pH 7.4): 3.16; (7)ACD/KOC (pH 5.5): 79.3; (8)ACD/KOC (pH 7.4): 79.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 44.81 cm3; (15)Molar Volume: 147.4 cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 1.154 g/cm3; (18)Flash Point: 173.4 °C; (19)Enthalpy of Vaporization: 53.06 kJ/mol; (20)Boiling Point: 311.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00102 mmHg at 25 °C.
Preparation of Methyl p-tolyl sulfone: this chemical can be prepared by 1-Methyl-4-methylsulfanyl-benzene. The reaction occurs with reagent acetonitrile and other condition of heating for 5 hours. The yield is 91 %.
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