5-CHLORO-2-METHOXYBENZENESULFONYL CHLORIDE

The Benzenesulfonylchloride, 5-chloro-2-methoxy-, with the CAS registry number 22952-32-5, has the systematic name and IUPAC name of 5-chloro-2-methoxybenzenesulfonyl chloride. It is a kind of white crystalline powder, and the molecular formula of this chemical is C₇H₆Cl₂O₃S.

The physical properties of Benzenesulfonylchloride, 5-chloro-2-methoxy- are as following: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 104.24; (6)ACD/BCF (pH 7.4): 104.24; (7)ACD/KOC (pH 5.5): 968.56; (8)ACD/KOC (pH 7.4): 968.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.75 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 51.59 cm³; (15)Molar Volume: 162 cm³; (16)Polarizability: 20.45×10^-24cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.487 g/cm³; (19)Flash Point: 162.2 °C; (20)Enthalpy of Vaporization: 56.53 kJ/mol; (21)Boiling Point: 344.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00013 mmHg at 25°C.

Uses of Benzenesulfonylchloride, 5-chloro-2-methoxy-: It can react with 4-(2-amino-ethyl)-benzenesulfonamide; hydrochloride to produce [β-(chloro-5 methoxy-2 benzenesulfonamido)-ethyl]-4 benzenesulfonamide. This reaction will need reagent triethylamine, and the solvent diethyl ether and ethanol. The reaction time is 0.75 hours with heating, and the yield is about 77%.

You should be cautious while dealing with this chemical. If contact with water, it will liberate toxic gas. It is harmful by inhalation, in contact with skin and if swallowed, and  may cause burns. It is also  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 container dry; 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: Clc1cc(c(OC)cc1)S(Cl)(=O)=O
(2)InChI: InChI=1/C7H6Cl2O3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3
(3)InChIKey: FCJGLIMDVOTBLO-UHFFFAOYAX