BIS(PHENYLSULFONYL)METHANE

The Benzene,1,1'-[methylenebis(sulfonyl)]bis-, with the CAS registry number 3406-02-8, is also known as 1,1'-(Methylenedisulfonyl)dibenzene. Its EINECS number is 222-291-5. This chemical's molecular formula is C₁₃H₁₂O₄S₂ and molecular weight is 296.36. What's more, its IUPAC name is benzenesulfonylmethylsulfonylbenzene.

Physical properties of Benzene,1,1'-[methylenebis(sulfonyl)]bis- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 11.01; (6)ACD/BCF (pH 7.4): 11.01; (7)ACD/KOC (pH 5.5): 193.73; (8)ACD/KOC (pH 7.4): 193.73; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 85.04 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 73.73 cm³; (15)Molar Volume: 217.3 cm³; (16)Polarizability: 29.22×10^-24cm³; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.363 g/cm³; (19)Flash Point: 374.4 °C; (20)Enthalpy of Vaporization: 80.23 kJ/mol; (21)Boiling Point: 552.8 °C at 760 mmHg; (22)Vapour Pressure: 1.07E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by bis-phenylsulfanyl-methane. This reaction will need reagents H₂O₂, Ac₂O and solvent acetic acid. The yield is about 78%.

Uses of Benzene,1,1'-[methylenebis(sulfonyl)]bis-: it can be used to produce 1,1,3,3-Tetrakis-phenylsulfonyl-propan at the temperature of 80°C. It will need reagent triethylamine and solvent benzene with the reaction time of 3 hours. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)CS(=O)(=O)c2ccccc2
(2)Std. InChI: InChI=1S/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2
(3)Std. InChIKey: QCHNSJNRFSOCLJ-UHFFFAOYSA-N