4-Chlorophenyl ethyl sulfone

The Benzene,1-chloro-4-(ethylsulfonyl)-, with the CAS registry number 7205-80-3, is also known as 2-Chloro-5-ethylsulfonylnitrobenzene. Its EINECS number is 230-577-6. This chemical's molecular formula is C₈H₉ClO₂S and formula weight is 204.67. What's more, its IUPAC name is 1-chloro-4-ethylsulfonylbenzene.

Physical properties of Benzene,1-chloro-4-(ethylsulfonyl)- are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/BCF (pH 5.5): 9.46; (5)ACD/KOC (pH 5.5): 173.78; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 42.52 Å²; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 49.65 cm³; (12)Molar Volume: 159.6 cm³; (13)Surface Tension: 39.5 dyne/cm; (14)Density: 1.281 g/cm³; (15)Flash Point: 159.6 °C; (16)Enthalpy of Vaporization: 56.08 kJ/mol; (17)Boiling Point: 340.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000171 mmHg at 25°C.

Preparation: this chemical can be prepared by ethyl-(4-chloro-phenyl)-sulfide at the temperature of 60-70°C. This reaction will need reagent 30% hydrogen peroxide and solvent acetic acid with the reaction time of 1.5 hours. The yield is about 94%.

Uses of Benzene,1-chloro-4-(ethylsulfonyl)-: it can be used to produce 1-[1-(4-chloro-benzenesulfonyl)-ethyl]-cyclohexanol from the temperature of -30°C to room temperature. It will need reagent butyllithium and solvent tetrahydrofuran, hexane. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCS(=O)(=O)C1=CC=C(C=C1)Cl
(2)InChI: InChI=1S/C8H9ClO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
(3)InChIKey: FVSFDDWOQCUYKZ-UHFFFAOYSA-N