1,3-Benzenedisulfonic acid

Base Information

• Chemical Name: 1,3-Benzenedisulfonic acid
• CAS No.: 98-48-6
• Molecular Formula: C6H6O6S2
• Molecular Weight: 238.242
• European Community (EC) Number: 202-672-2
• UNII: 38TKY93G3H
• DSSTox Substance ID: DTXSID8045060
• Nikkaji Number: J182.129F
• Wikidata: Q27144264
• ChEMBL ID: CHEMBL3306350
• Mol file: 98-48-6.mol

Synonyms:1,3-benzenedisulfonate;1,3-benzenedisulfonic acid;2Na of benzene 1,3-disulfonate;benzene 1,3-disulfonate;xNa of benzene 1,3-disulfonate

Chemical Property of 1,3-Benzenedisulfonic acid

Chemical Property:

• Melting Point: 136.0 °C
• PKA: -1.43±0.30(Predicted)
• PSA: 125.50000
• Density: 1.764 g/cm³
• LogP: 2.34160
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 237.96058025
• Heavy Atom Count: 14
• Complexity: 345

Purity/Quality:

98%min ^*data from raw suppliers

BENZENE-1,3-DISULPHONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzenesulfonic Acid Derivatives
• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)O

Technology Process of 1,3-Benzenedisulfonic acid

There total 29 articles about 1,3-Benzenedisulfonic 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:

benzenesulfonic acid (98-11-3) → benzene-1,3-disulfonic acid (98-48-6) + 3,3'-disulfodiphenyl sulfone (7566-34-9) + benzene 1,3,5-trisulfonic acid (617-99-2)

Guidance literature:

With sulfur trioxide; water; Product distribution; various reaction conditions, multistep reaction;

DOI:10.1002/recl.19941130906

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → benzene-1,4-disulfonic acid (31375-02-7) + benzene-1,3-disulfonic acid (98-48-6)

Guidance literature:

With sulfuric acid; sulfur trioxide; at 200 - 245 ℃;

Reference yield:

benzene-1,2-disulfonic acid (31375-00-5) + sulfuric acid (7664-93-9) → benzene-1,4-disulfonic acid (31375-02-7) + benzene-1,3-disulfonic acid (98-48-6)

Guidance literature:

at 223 ℃;

upstream raw materials:

benzene-1,4-disulfonic acid

m-sulfanilic acid diazonium salt

sodium phenylsulfonate

3-aminobenzenesulfonic acid

Downstream raw materials:

benzene-1,3-disulfonic acid bis-(4-bromo-phenacyl ester)

benzene-1,4-disulfonic acid

benzene 1,3,5-trisulfonic acid

recorcinol

Refernces

• 1、 Cerfontain, Hans,Zou, Yousi,Bakker, Bert H.. "The positional reactivity order in the sulfur trioxide sulfonation of benzene and naphtalene derivatives containing an electron-withdrawing substituent". . p. 403 - 410. Retrieved 2007/10/02.
• 2、 Sanecki, Przemyslaw,Rokaszewski, Edward. "Kinetics of hydrolysis of aromatic mono- and disulfonyl chlorides". . p. 2263 - 2267. Retrieved 2007/10/02.