4-FLUOROPHENYL METHYL SULFONE

The Benzene,1-fluoro-4-(methylsulfonyl)-, with the CAS registry number 455-15-2, is also known as 4-Fluoro-1-(methylsulfonyl)benzene. It belongs to the product categories of Aromatics Compounds; Aromatics; Sulfur & Selenium Compounds; Organic Building Blocks; Sulfones; Sulfur Compounds. Its EINECS number is 207-237-0. This chemical's molecular formula is C₇H₇FO₂S and formula weight is 174.19. What's more, its IUPAC name is 1-fluoro-4-methylsulfonylbenzene.

Physical properties of Benzene,1-fluoro-4-(methylsulfonyl)- are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 2.45; (4)ACD/KOC (pH 5.5): 66.02; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 42.52 Å²; (9)Index of Refraction: 1.507; (10)Molar Refractivity: 40.3 cm³; (11)Molar Volume: 135.4 cm³; (12)Surface Tension: 35.5 dyne/cm; (13)Density: 1.286 g/cm³; (14)Flash Point: 132.8 °C; (15)nthalpy of Vaporization: 51.42 kJ/mol; (16)Boiling Point: 295.9 °C at 760 mmHg; (17)Vapour Pressure: 0.00261 mmHg at 25°C.

Uses of Benzene,1-fluoro-4-(methylsulfonyl)-: it can be used to produce 1-(4-fluoro-benzenesulfonyl)-propan-2-ol at the room temperature. It will need reagent propylmagnesium bromide and solvent tetrahydrofuran with the reaction time of 1 hour. It needs reflux. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. You should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)F
(2)InChI: InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
(3)InChIKey: DPJHZJGAGIWXTD-UHFFFAOYSA-N