2,4-dihydroxybenzenesulfonic Acid

Base Information

• Chemical Name: 2,4-dihydroxybenzenesulfonic Acid
• CAS No.: 6409-58-1
• Molecular Formula: C6H6 O5 S
• Molecular Weight: 190.177
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID10415545
• Nikkaji Number: J81.218H
• Wikidata: Q27139408
• Metabolomics Workbench ID: 65485
• Mol file: 6409-58-1.mol

Synonyms:2,4-dihydroxybenzenesulfonic Acid;6409-58-1;resorcinol-4-sulfonic acid;SCHEMBL669162;CHEBI:71158;DTXSID10415545;GPULXEIKKFAUAW-UHFFFAOYSA-N;2,4-Dihydroxybenzene Sulphonic Acid;Benzenesulfonic acid, 2,4-dihydroxy-;Q27139408

Chemical Property of 2,4-dihydroxybenzenesulfonic Acid

Chemical Property:

• Vapor Pressure: 1.52E-10mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 510.6°C at 760 mmHg
• PKA: -0.23±0.50(Predicted)
• Flash Point: 262.6°C
• PSA: 103.21000
• Density: 1.17g/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%min ^*data from raw suppliers

2,4-Dihydroxybenzenesulfonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)O)S(=O)(=O)O

Technology Process of 2,4-dihydroxybenzenesulfonic Acid

There total 11 articles about 2,4-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: 83.0%

4-fluororesorcinol (103068-41-3) → 1,3-dihydroxybenzene-4-sulfonic acid (6409-58-1)

Guidance literature:

With sodium sulfite; In water; at 20 ℃; for 336h; Green chemistry;

DOI:10.1039/c9gc00467j

Reference yield:

4-Chlororesorcinol (95-88-5) → 1,3-dihydroxybenzene-4-sulfonic acid (6409-58-1) + 3,5-dihydroxybenzene sulfonic acid (17724-16-2)

Guidance literature:

With sodium sulfite; In water; at 130 ℃; for 1h; Temperature; Overall yield = 73 %; Overall yield = 76 mg; Sealed tube; Microwave irradiation; Green chemistry;

DOI:10.1039/c9gc00467j

Reference yield:

4-fluororesorcinol (103068-41-3) → 1,3-dihydroxybenzene-4-sulfonic acid (6409-58-1) + 3,5-dihydroxybenzene sulfonic acid (17724-16-2)

Guidance literature:

With sodium sulfite; In water; at 130 ℃; for 6h; Overall yield = 91 %; Overall yield = 95 mg; Sealed tube; Microwave irradiation; Green chemistry;

DOI:10.1039/c9gc00467j

upstream raw materials:

recorcinol

4-Chlororesorcinol

4-fluororesorcinol

Downstream raw materials:

recorcinol

fluorescein

2,4,6-tribromoresorcinol

Refernces

• 1、 Dhamodharan,Sathya,Dhandapani. "Studies on synthesis, structural, luminescent and thermal properties of a new non-linear optical crystal: 4-amino-4H-1,2,4-triazol-1-ium-3-hydroxy-2,4,6-trinitrophenolate". . p. 33 - 40. Retrieved 2017.
• 2、 -. "One step hair coloring compositions using salts". . . Retrieved 2008/06/13.