[(Trichloromethyl)sulfonyl]benzene (42764-08-9)

The systematic name of [(Trichloromethyl)sulfonyl]benzene is [(trichloromethyl)sulfonyl]benzene. With the CAS registry number 42764-08-9, it is also named as Trichloromethyl phenyl sulfone. In addition, its molecular formula is C₇H₅Cl₃O₂S and its molecular weight is 259.54.

The other characteristics of [(Trichloromethyl)sulfonyl]benzene can be summarized as: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 3.96; (5)ACD/BCF (pH 5.5): 602.41; (6)ACD/BCF (pH 7.4): 602.41; (7)ACD/KOC (pH 5.5): 3399.77; (8)ACD/KOC (pH 7.4): 3399.77; (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: 1.575; (14)Molar Refractivity: 54.7 cm³; (15)Molar Volume: 165.4 cm³; (16)Polarizability: 21.68×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.569 g/cm³; (19)Flash Point: 152.1 °C; (20)Enthalpy of Vaporization: 54.75 kJ/mol; (21)Boiling Point: 327.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000376 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=S(=O)(c1ccccc1)C(Cl)(Cl)Cl
(2)InChI:InChI=1/C7H5Cl3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
(3)InChIKey:VZUBRRXYUOJBRS-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C7H5Cl3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
(5)Std. InChIKey:VZUBRRXYUOJBRS-UHFFFAOYSA-N