2,5-Dihydroxybenzenesulfonic Acid

Base Information

• Chemical Name: 2,5-Dihydroxybenzenesulfonic Acid
• CAS No.: 88-46-0
• Molecular Formula: C6H6O5S
• Molecular Weight: 190.177
• European Community (EC) Number: 201-833-4
• UNII: TO0PAT081I
• DSSTox Substance ID: DTXSID8045014
• Nikkaji Number: J799D
• Wikidata: Q27139347
• RXCUI: 235935
• Metabolomics Workbench ID: 65484
• ChEMBL ID: CHEMBL1232131
• Mol file: 88-46-0.mol

Synonyms:2,5 Dihydroxybenzenesulfonate;2,5 Dihydroxybenzenesulfonic Acid;2,5-Dihydroxybenzenesulfonate;2,5-Dihydroxybenzenesulfonic Acid;Calcium Dobesilate;Calcium Dobesilate (1:1);Calcium Dobesilate Monoammonium Salt;Calcium Dobesilate Monopotassium Salt;Calcium, Dobesilate;Dexium;Dobesilate Calcium;Dobesilate, Calcium;Dobica;Doxium

Chemical Property of 2,5-Dihydroxybenzenesulfonic Acid

Chemical Property:

• Refractive Index: 1.657
• PKA: -0.51±0.30(Predicted)
• PSA: 103.21000
• Density: 1.744 g/cm³
• LogP: 1.42530
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 189.99359446
• Heavy Atom Count: 12
• Complexity: 241

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=C1O)S(=O)(=O)O)O

Technology Process of 2,5-Dihydroxybenzenesulfonic Acid

There total 16 articles about 2,5-Dihydroxybenzenesulfonic 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: 91.1%

2,5-bis(acetyloxy)benzenesulfonic acid → dobesilate (88-46-0)

Guidance literature:

With water; sodium hydroxide; at 40 ℃; for 2h; Temperature;

Reference yield: 80.0%

p-benzoquinone (106-51-4) → dobesilate (88-46-0) + hydroquinone (123-31-9,8027-02-9)

Guidance literature:

With sulfur dioxide; In not given; 0-80°C;

DOI:10.1039/CT9140502435

Reference yield: 35.0%

p-benzoquinone (106-51-4) + sodium sulfite (7757-83-7) → dobesilate (88-46-0)

Guidance literature:

addn. of alkali;

DOI:10.1039/CT9140502435

upstream raw materials:

2,5-dichlorobenzenesulfonic acid

hydroquinone

p-benzoquinone

sulfur trioxide

Downstream raw materials:

3,6-dioxo-cyclohexa-1,4-dienesulfonic acid

2,3,5-tribromo-1,4-dihydroxybenzene

chloranil

hydroquinone

Refernces

• 1、 Fatima, Touheeth,Duguta, Govardhan,Purugula, Venkanna,Yelike, Hemanth Sriram,Kamatala, Chinna Rajanna. "Cornforth and Corey-Suggs reagents as efficient catalysts for sulfonation of aromatic and heteroaromatic compounds using NaHSO3 under solvent free and microwave conditions". . p. 1001 - 1006. Retrieved 2020/07/27.
• 2、 -. "Method for producing high-purity etamsylate". Paragraph 0025; 0029-0036. . Retrieved 2019/03/29.