Pentafluorobenzenesulfonyl chloride

This chemical is called Benzenesulfonyl chloride, 2,3,4,5,6-pentafluoro-, and it can also be named as Pentafluorobenzenesulfonyl chloride. With the CAS registry number of 832-53-1, its product categories are Aromatic Halides (Substituted); Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. Addtionally, this chemical is clear colourless to light yellow liquid. It should be stored sealed in the cool and dry place.

Other characteristics of the Benzenesulfonyl chloride, 2,3,4,5,6-pentafluoro- can be summarised as followings: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.16; (6)ACD/BCF (pH 7.4): 65.16; (7)ACD/KOC (pH 5.5): 691.92; (8)ACD/KOC (pH 7.4): 691.92; (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: 1.468; (14)Molar Refractivity: 40.96 cm³; (15)Molar Volume: 147.1 cm³; (16)Polarizability: 16.23×10^-24cm³; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.811 g/cm³; (19)Flash Point: 81.1 °C; (20)Enthalpy of Vaporization: 42.85 kJ/mol; (21)Boiling Point: 210.5 °C at 760 mmHg; (22)Vapour Pressure: 0.278 mmHg at 25°C.

Production method of this chemical: The Benzenesulfonyl chloride, 2,3,4,5,6-pentafluoro- could be obtained by the reactant of pentafluorobenzene. This reaction needs the reagent of chlorsulfonic acid. The yield is 53 %. In addition, this reaction should be taken for 16 hours at the temperature of 120-130 °C.

Uses of this chemical: The Benzenesulfonyl chloride, 2,3,4,5,6-pentafluoro- could react with methanol, and obtain the Pentafluorbenzolsulfonsaeure-methylester. This reaction needs the reagent of NaOCH₃. The yield is 36 %.

When you are using this chemical, please be cautious about it as the following: This chemical is easy to cause burns, and it's irritating to respiratory system. Avoid contacting with skin and eyes. Wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1c(c(F)c(F)c(F)c1F)S(Cl)(=O)=O
2.InChI: InChI=1/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12
3.InChIKey: UOJCTEGNHXRPKO-UHFFFAOYAQ