CHLOROMETHYL PHENYL SULFONE

The Benzene,[(chloromethyl)sulfonyl]-, with the CAS registry number 7205-98-3 and EINECS registry number 230-581-8, has the systematic name of [(chloromethyl)sulfonyl]benzene. It belongs to the follwing product categories: Organic Building Blocks; Sulfones; Sulfur Compounds. And the molecular formula of the chemical is C₇H₇ClO₂S. What's more, it should be stored at 2-8°C.

The characteristics of Benzene,[(chloromethyl)sulfonyl]- are as followings: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.16; (6)ACD/BCF (pH 7.4): 5.16; (7)ACD/KOC (pH 5.5): 112.66; (8)ACD/KOC (pH 7.4): 112.66; (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: 1.544; (14)Molar Refractivity: 45.03 cm³; (15)Molar Volume: 142.5 cm³; (16)Polarizability: 17.85×10^-24cm³; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.336 g/cm³; (19)Flash Point: 158.3 °C; (20)Enthalpy of Vaporization: 55.84 kJ/mol; (21)Boiling Point: 338.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000197 mmHg at 25°C.

Uses of Benzene,[(chloromethyl)sulfonyl]-: It can react with benzothiazole to produce 2-benzenesulfonylmethyl-benzothiazole. This reaction will need reagent KOH, and the menstruum dimethylsulfoxide. And the yield is about 64%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)CCl
(2)InChI: InChI=1/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
(3)InChIKey: NXAIQSVCXQZNRY-UHFFFAOYAG