3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid

Base Information

• Chemical Name: 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid
• CAS No.: 83817-55-4
• Molecular Formula: C13H10Cl2O8S2
• Molecular Weight: 429.256
• European Community (EC) Number: 280-956-5
• DSSTox Substance ID: DTXSID00232703
• Nikkaji Number: J326.850K
• Wikidata: Q83113796
• ChEMBL ID: CHEMBL1206915

Synonyms:83817-55-4;3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid;EINECS 280-956-5;5-chloro-3-[(5-chloro-2-hydroxy-3-sulfo-phenyl)methyl]-2-hydroxy-benzenesulfonic acid;C13H10Cl2O8S2;CHEMBL1206915;DTXSID00232703;C13-H10-Cl2-O8-S2;3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulfonic acid);3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulfonic)acid;3,3'-Methylene-bis(2-hydroxy-5-chloro-benzene sulfonic acid);Benzenesulfonic acid, 3,3'-methylenebis[5-chloro-2-hydroxy-

Chemical Property of 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.825g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 427.9194150
• Heavy Atom Count: 25
• Complexity: 613

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Cl)S(=O)(=O)O)O)O)S(=O)(=O)O)Cl

Technology Process of 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid

There total 2 articles about 3,3'-Methylenebis(5-chloro-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:

→ 5,5'-dichloro-2,2'-dihydroxy-3,3'-methanediyl-bis-benzenesulfonic acid (83817-55-4)

Guidance literature:

entspr. Dimer, H2SO4, (90-95grad);

upstream raw materials:

2,2'-methylenebis(4-chlorophenol)

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