Fluoromethyl phenyl sulfone

The Fluoromethyl phenyl sulfone, with cas registry number 20808-12-2, belongs to the following product categories: (1)Biochemistry; (2)Fluorinated Building Blocks; (3)Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; (4)Reagents for Oligosaccharide Synthesis; (5)Sulfur Compounds (for Synthesis); (6)Synthetic Organic Chemistry. It has the systematic name of [(fluoromethyl)sulfonyl]benzene.

Physical properties about this chemical are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.34; (6)ACD/BCF (pH 7.4): 2.34; (7)ACD/KOC (pH 5.5): 63.91; (8)ACD/KOC (pH 7.4): 63.91; (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: 1.501; (14)Molar Refractivity: 40.31 cm³; (15)Molar Volume: 136.6 cm³; (16)Polarizability: 15.98×10^-24cm³; (17)Surface Tension: 35 dyne/cm; (18)Enthalpy of Vaporization: 53.33 kJ/mol; (19)Vapour Pressure: 0.000866 mmHg at 25°C.

Preparation: this chemical can be prepared by Phenyl-fluormethyl-sulfid. This reaction will need reagent m-chloroperoxybenzoic acid and solvent CHCl_3. The reaction time is 4 hours.

Uses of Fluoromethyl phenyl sulfone: it can be used to produce diethyl 1-fluoro-1-phenylsulfonylmethanephosphonate. This reaction will need reagent BuLi and solvent tetrahydrofuran. The reaction time is 1.5 hour(s) with reaction temperature of -70 ℃. The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)CF
(2)InChI: InChI=1/C7H7FO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
(3)InChIKey: DENHPZASLKBBHA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H7FO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
(5)Std. InChIKey: DENHPZASLKBBHA-UHFFFAOYSA-N