5-Chloro-2-hydroxy-4-methylbenzenesulfonic acid

Base Information

• Chemical Name: 5-Chloro-2-hydroxy-4-methylbenzenesulfonic acid
• CAS No.: 40677-43-8
• Molecular Formula: C7H7ClO4S
• Molecular Weight: 222.649
• UNII: W9HXK8AVM2
• Nikkaji Number: J28.713J
• Mol file: 40677-43-8.mol

Synonyms:W9HXK8AVM2;5-Chloro-2-hydroxy-4-methylbenzenesulfonic acid;UNII-W9HXK8AVM2;40677-43-8;5-Chloro-2-hydroxy-4-methylbenzenesulphonic acid;Benzenesulfonic acid, 5-chloro-2-hydroxy-4-methyl-;Benzenesulphonic acid, 5-chloro-2-hydroxy-4-methyl-;SCHEMBL9186597;2-sulfo-4-chloro-5-methylphenol;QZEPLRHZZAKWCP-UHFFFAOYSA-N;2-sulpho-4-chloro-5-methylphenol

Chemical Property of 5-Chloro-2-hydroxy-4-methylbenzenesulfonic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 221.9753576
• Heavy Atom Count: 13
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)S(=O)(=O)O)O

Technology Process of 5-Chloro-2-hydroxy-4-methylbenzenesulfonic acid

There total 1 articles about 5-Chloro-2-hydroxy-4-methylbenzenesulfonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.4%

4-Chloro-3-methylphenol (59-50-7) → 5-chloro-2-hydroxy-4-methylbenzenesulfonic acid (40677-43-8)

Guidance literature:

With sulfuric acid; at 50 ℃; for 3h; Concentration; Temperature;

Reference yield: 80.2%

5-chloro-2-hydroxy-4-methylbenzenesulfonic acid (40677-43-8) → 2-hydroxy-4-methylbenzenesulfonic acid (22356-80-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In water; at 20 ℃; for 288h; Concentration; Reagent/catalyst;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 5-chloro-2-hydroxy-4-methylbenzenesulfonic acid (40677-43-8) → 4-Chloro-3-methylphenol (59-50-7)

Guidance literature:

at 150 ℃;

upstream raw materials:

4-Chloro-3-methylphenol

Downstream raw materials:

4-chloro-3-methyl-2,6-dinitro-phenol

4-Chloro-3-methylphenol

2-hydroxy-4-methylbenzenesulfonic acid

Refernces