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2,5-Dimethoxybenzenesulfonyl chloride

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Name

2,5-Dimethoxybenzenesulfonyl chloride

EINECS N/A
CAS No. 1483-28-9 Density 1.359 g/cm3
PSA 60.98000 LogP 2.71210
Solubility N/A Melting Point 112-116 °C(lit.)
Formula C8H9ClO4S Boiling Point 359.7 °C at 760 mmHg
Molecular Weight 236.676 Flash Point 171.3 °C
Transport Information UN 3261 8/PG 3 Appearance yellow crystals or crystalline powder
Safety 26-27-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 1483-28-9 (2,5-DIMETHOXYBENZENESULFONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

2,5-Bis(methyloxy)benzenesulfonylchloride;2,5-Dimethoxybenzene-1-sulfonyl chloride;2,5-Dimethoxyphenylsulfonyl chloride;

Article Data 6

2,5-Dimethoxybenzenesulfonyl chloride Specification

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

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