5-Chloro-3-((5-chloro-2-hydroxyphenyl)methyl)-2-hydroxybenzenesulphonic acid

Base Information

• Chemical Name: 5-Chloro-3-((5-chloro-2-hydroxyphenyl)methyl)-2-hydroxybenzenesulphonic acid
• CAS No.: 83817-56-5
• Molecular Formula: C13H10 Cl2 O5 S
• Molecular Weight: 349.191
• Hs Code.: 2908999090
• European Community (EC) Number: 280-957-0
• UNII: MG6NQ73XIA
• DSSTox Substance ID: DTXSID60232704
• Nikkaji Number: J326.851I
• Wikidata: Q83113797
• Mol file: 83817-56-5.mol

Synonyms:83817-56-5;MG6NQ73XIA;5-Chloro-3-((5-chloro-2-hydroxyphenyl)methyl)-2-hydroxybenzenesulphonic acid;EINECS 280-957-0;UNII-MG6NQ73XIA;5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonic acid;5-Chloro-3-((5-chloro-2-hydroxyphenyl)methyl)-2-hydroxybenzenesulfonic acid;5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzenesulphonic acid;C13H10Cl2O5S;DTXSID60232704;C13-H10-Cl2-O5-S;BENZENESULFONIC ACID, 5-CHLORO-3-((5-CHLORO-2-HYDROXYPHENYL)METHYL)-2-HYDROXY-

Chemical Property of 5-Chloro-3-((5-chloro-2-hydroxyphenyl)methyl)-2-hydroxybenzenesulphonic acid

Chemical Property:

• PSA: 103.21000
• Density: 1.644g/cm³
• LogP: 4.32290
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 347.9626000
• Heavy Atom Count: 21
• Complexity: 452

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CC2=C(C(=CC(=C2)Cl)S(=O)(=O)O)O)O

Technology Process of 5-Chloro-3-((5-chloro-2-hydroxyphenyl)methyl)-2-hydroxybenzenesulphonic acid

There total 2 articles about 5-Chloro-3-((5-chloro-2-hydroxyphenyl)methyl)-2-hydroxybenzenesulphonic 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:

2,2'-methylenebis(4-chlorophenol) (97-23-4) → 5,5'-dichloro-2,2'-dihydroxy-3,3'-methanediyl-bis-benzenesulfonic acid (83817-55-4) + 5-chloro-3-(5-chloro-2-hydroxy-benzyl)-2-hydroxy-benzenesulfonic acid (83817-56-5)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01158a049

Reference yield:

→ 5-chloro-3-(5-chloro-2-hydroxy-benzyl)-2-hydroxy-benzenesulfonic acid (83817-56-5)

Guidance literature:

from the corresp. dimer and pyridine*SO3 at 165-175grad;

upstream raw materials:

2,2'-methylenebis(4-chlorophenol)

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