2,5-DIMETHOXYBENZENESULFONYL CHLORIDE

With the CAS registry number 1483-28-9, the IUPAC name of Benzenesulfonyl chloride, 2,5-dimethoxy- is 2,5-dimethoxybenzenesulfonyl chloride. The product's categories are Benzenesulfonyl Chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. It is yellow crystals or crystalline powder which is sensitive to moisture. Additioanally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.42; (6)ACD/BCF (pH 7.4): 33.42; (7)ACD/KOC (pH 5.5): 429.08; (8)ACD/KOC (pH 7.4): 429.08; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 53.13 cm³; (14)Molar Volume: 174 cm³; (15)Polarizability: 21.06×10^-24 cm³; (16)Surface Tension: 40.5 dyne/cm; (17)Enthalpy of Vaporization: 58.14 kJ/mol; (18)Vapour Pressure: 4.85E-05 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 235.991007; (21)MonoIsotopic Mass: 235.991007; (22)Topological Polar Surface Area: 61; (23)Heavy Atom Count: 14; (24)Complexity: 272.

Uses of Benzenesulfonyl chloride, 2,5-dimethoxy-: It can react with 2-amino-3-methyl-phenol to get 2,5-dimethoxy-benzenesulfonic acid 2-amino-3-methyl-phenyl ester. This reaction which the type is substitution needs reagent Et₃N and solvent CH₂Cl₂. The yield is 90%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. You also must take off immediately all contaminated clothing. If you want to contact this product, you must 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.)

People can use the following data to convert to the molecule structure.
1. SMILES:ClS(=O)(=O)c1cc(OC)ccc1OC
2. InChI:InChI=1/C8H9ClO4S/c1-12-6-3-4-7(13-2)8(5-6)14(9,10)11/h3-5H,1-2H3 
3. InChIKey:SHELADVIRCCTFN-UHFFFAOYAF