m-Phenolsulfonic acid

Base Information

• Chemical Name: m-Phenolsulfonic acid
• CAS No.: 585-38-6
• Molecular Formula: C6H6O4S
• Molecular Weight: 174.177
• Hs Code.: 2904100090
• European Community (EC) Number: 209-555-5
• NSC Number: 508884
• UNII: YJU1H9LTR7
• DSSTox Substance ID: DTXSID8060406
• Nikkaji Number: J6.733D
• Wikidata: Q18472695
• Metabolomics Workbench ID: 65420
• Mol file: 585-38-6.mol

Synonyms:m-Phenolsulfonic acid;585-38-6;3-hydroxybenzenesulfonic acid;Benzenesulfonic acid, 3-hydroxy-;m-Hydroxybenzenesulphonic acid;Phenol-3-sulfonic acid;m-Hydroxybenzenesulfonic acid;UNII-YJU1H9LTR7;YJU1H9LTR7;Benzenesulfonic acid, m-hydroxy-;EINECS 209-555-5;NSC-508884;Phenol-m-sulfosaure;3-phenolsulfonic acid;starbld0018356;3-Hydroxybenzenesulphonic acid;SCHEMBL487038;3-hydroxybenzene sulfonic acid;DTXSID8060406;CHEBI:71047;MFCD08059552;NSC508884;NSC 508884;BB 0262322;Q18472695

Chemical Property of m-Phenolsulfonic acid

Chemical Property:

• Refractive Index: 1.615
• PKA: 9.07(at 25℃)
• PSA: 82.98000
• Density: 1.574 g/cm³
• LogP: 1.71970
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 173.99867984
• Heavy Atom Count: 11
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

3-HYDROXYBENZENESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)O

Technology Process of m-Phenolsulfonic acid

There total 17 articles about m-Phenolsulfonic 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:

3-aminobenzenesulfonic acid (121-47-1) → m-phenolsulfonic acid (585-38-6)

Guidance literature:

With hydrogenchloride; water; sodium nitrite; zuletzt Erwaermen auf 60-70grad;

Reference yield:

→ m-phenolsulfonic acid (585-38-6)

Guidance literature:

With potassium hydroxide; at 170 - 180 ℃;

Reference yield:

→ m-phenolsulfonic acid (585-38-6)

Guidance literature:

With sodium hydroxide; at 250 ℃;

upstream raw materials:

ethanol

1-hydroxy-2-aminobenzene-5-sulfonic acid

3-aminobenzenesulfonic acid

m-trimethylsiloxybenzenesulfonate de trimethylsilyle

Downstream raw materials:

recorcinol

Refernces

• 1、 Babin, P.,Bennetau, B.,Bourgeois, P.,Rajarison, F.,Dunogues, J.. "A practical regiospecific synthesis of ortho- and meta-hydroxybenzenesulfonic acids". . p. 25 - 28. Retrieved 2007/10/02.