4-METHYLSULFONYLBENZENESULFONYL CHLORIDE

The Benzenesulfonylchloride, 4-(methylsulfonyl)-, with the CAS registry number 82964-91-8, is also known as 4-Methanesulfonyl-Benzene-1-sulfonyl chloride. It belongs to the product categories of Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. This chemical's molecular formula is C₇H₇ClO₄S₂ and molecular weight is 254.71. What's more, its systematic name is called 4-(Methylsulfonyl)benzenesulfonyl chloride. This chemical is yellow to salmon-pink crystalline powder and it should be kept in a cold, dry place.

Physical properties about Benzenesulfonylchloride, 4-(methylsulfonyl)- are: (1) ACD/LogP: 1.14; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.14; (4) ACD/LogD (pH 7.4): 1.14; (5) ACD/BCF (pH 5.5): 4.32; (6) ACD/BCF (pH 7.4): 4.32; (7) ACD/KOC (pH 5.5): 99.22; (8) ACD/KOC (pH 7.4): 99.22; (9) #H bond acceptors: 4; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 85.04 Å²; (13) Index of Refraction: 1.554; (14) Molar Refractivity: 53.84 cm³; (15) Molar Volume: 167.8 cm³; (16) Surface Tension: 47.2 dyne/cm; (17) Density: 1.517 g/cm³; (18) Flash Point: 208.8 °C; (19) Enthalpy of Vaporization: 64.96 kJ/mol; (20) Boiling Point: 421.7 °C at 760 mmHg; (21) Vapour Pressure: 6.26E-07 mmHg at 25 °C; (22) Melting Point:165-169 °C.

Preparation of Benzenesulfonylchloride, 4-(methylsulfonyl)-: this chemical can be prepared by 4-Methylsulfanyl-benzenesulfonyl chloride.

This reaction needs reagent Hydrogen peroxide and solvent Acetic acid, Acetic anhydride. The yield is 92 %.

Uses of Benzenesulfonylchloride, 4-(methylsulfonyl)-: it is used to produce other chemicals. For example, it is used to produce p-Methylsulfonyl-benzolsulfonsaeure-1-(2-ethyl-3-hydroxy)-hexylester. The yield is 82 %.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and may cause burns. The gas can not be breathed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, you should avoid contacting with skin and eyes. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(Cl)(=O)c1ccc(cc1)S(=O)(=O)C
(2) InChI: InChI=1/C7H7ClO4S2/c1-13(9,10)6-2-4-7(5-3-6)14(8,11)12/h2-5H,1H3
(3) InChIKey: TYJOQICPGZGYDT-UHFFFAOYAT