3-FLUOROBENZENESULFONYL CHLORIDE

The 3-Fluorobenzenesulfonyl chloride, with the CAS registry number 701-27-9, is also called 3-fluorobenzene-1-sulfonyl chloride. It is a kind of clear colorless to yellow-orange liquid which is sensitive to moisture, and belongs to the following product categories: Fluoro-contained benzenesulfonyl chloride series; Aromatic Halides (substituted); Benzene series; Miscellaneous; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. And the molecular formula of this chemical is C₆H₄ClFO₂S.

The physical properties of 3-Fluorobenzenesulfonyl chloride are as following: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.81; (6)ACD/BCF (pH 7.4): 39.81; (7)ACD/KOC (pH 5.5): 486.32; (8)ACD/KOC (pH 7.4): 486.32; (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: 1.534; (14)Molar Refractivity: 40.51 cm³; (15)Molar Volume: 130.2 cm³; (16)Polarizability: 16.06×10^-24cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.493 g/cm³; (19)Flash Point: 102.2 °C; (20)Enthalpy of Vaporization: 46.3 kJ/mol; (21)Boiling Point: 245.4 °C at 760 mmHg; (22)Vapour Pressure: 0.045 mmHg at 25°C.

Uses of 3-Fluorobenzenesulfonyl chloride: It can react with 4-(4-trifluoromethyl-phenoxy)-piperidine to produce 1-(3-fluoro-benzenesulfonyl)-4-(4-trifluoromethyl-phenoxy)-piperidine. This reaction will need reagent TEA and DMAP, and the solvent CH₂Cl₂. The yield is about 84%.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1cc(F)ccc1
(2)InChI: InChI=1/C6H4ClFO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H
(3)InChIKey: OKYSUJVCDXZGKE-UHFFFAOYAK