2,3-Dichlorobenzenesulfonyl chloride

The 2,3-Dichlorobenzenesulfonyl chloride, with the CAS registry number 82417-45-6, is also called 2,3-Dichlorobenzene-1-sulfonyl chloride. And the molecular formula of this chemical is C₆H₃Cl₃O₂S. It is a kind of white crystals or crystalline powder which is sensitive to moisture, and belongs to the following product categories: Sulfonylhalide; Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds.

The physical properties of 2,3-Dichlorobenzenesulfonyl chloride are as following: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 153.8; (6)ACD/BCF (pH 7.4): 153.8; (7)ACD/KOC (pH 5.5): 1279.48; (8)ACD/KOC (pH 7.4): 1279.48; (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: 1.581; (14)Molar Refractivity: 50.05 cm³; (15)Molar Volume: 149.9 cm³; (16)Polarizability: 19.84×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.636 g/cm³; (19)Flash Point: 155.1 °C; (20)Enthalpy of Vaporization: 55.28 kJ/mol; (21)Boiling Point: 332.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000275 mmHg at 25°C.

Uses of 2,3-Dichlorobenzenesulfonyl chloride: It can react with benzene-1,3-diol to produce 2,3-dichloro-benzenesulfonic acid 3-hydroxy-phenyl ester. This reaction will need reagent aq. NaHCO₃, and the solvent diethyl ether. The reaction time is 2 days with temperature of 20°C, and the yield is about 40%.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and may also 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; Keep away from sources of ignition - No smoking; 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: Clc1c(cccc1Cl)S(Cl)(=O)=O
(2)InChI: InChI=1/C6H3Cl3O2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H
(3)InChIKey: PQODWTNHDKDHIW-UHFFFAOYAT