Naphthalene-1,3,5-trisulfonic acid

Base Information

• Chemical Name: Naphthalene-1,3,5-trisulfonic acid
• CAS No.: 6654-64-4
• Molecular Formula: C10H8O9S3
• Molecular Weight: 368.366
• Hs Code.: 2904100000
• European Community (EC) Number: 229-679-3
• DSSTox Substance ID: DTXSID20985148
• Nikkaji Number: J170.924K
• Wikidata: Q27116794
• Metabolomics Workbench ID: 55335
• Mol file: 6654-64-4.mol

Synonyms:naphthalene-1,3,5-trisulfonic acid;6654-64-4;Naphthalene-1,3,5-trisulphonic acid;1,3,5-naphthalenetrisulfonic acid;Sodium 1,3,5-naphthalenetrisulfonate;EINECS 229-679-3;Naphthyl-1,3,5-trisulfonic acid;CHEBI:36334;1,3,5-Naphthalene trisulfonic acid;SCHEMBL3032086;DTXSID20985148;1,3,5-naphthalenetrisulphonic acid;MFCD03265508;AKOS015960655;DS-6379;AC-11885;CS-0315702;FT-0655710;F16440;Q27116794

Chemical Property of Naphthalene-1,3,5-trisulfonic acid

Chemical Property:

• Refractive Index: 1.714
• PKA: -0.89±0.40(Predicted)
• PSA: 196.74000
• Density: 1.919 g/cm³
• LogP: 2.79450
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 367.93304535
• Heavy Atom Count: 22
• Complexity: 720

Purity/Quality:

97% ^*data from raw suppliers

Naphthalene-1,3,5-trisulphonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O

Technology Process of Naphthalene-1,3,5-trisulfonic acid

There total 10 articles about Naphthalene-1,3,5-trisulfonic 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: 80.0%

naphthalene (91-20-3,71998-51-1,72931-45-4) → naphthalene-1,3,5-trisulphonic acid (6654-64-4) + naphthalene-1,3,6-trisulfonic acid (86-66-8) + naphthalene-1,3,7-trisulfonic acid (85-49-4)

Guidance literature:

With sulfuric acid; sulfur trioxide; at 65 - 150 ℃;

Reference yield:

naphthalene (91-20-3,71998-51-1,72931-45-4) → naphthalene-1,7-disulphonic acid (5724-16-3) + naphthalene-1,6-disulfonic acid (525-37-1) + naphthalene-1,3,5-trisulphonic acid (6654-64-4) + naphthalene-1,5-disulfonate (81-04-9)

Guidance literature:

With sulfur trioxide; water; Multistep reaction. Further byproducts given. Title compound not separated from byproducts; 1.) CH₂Cl₂, 22 deg C, 60 min, 2.) 70 - 80 deg C, 30 min;

DOI:10.1002/recl.19941130906

Reference yield:

→ naphthalene-1,3,5-trisulphonic acid (6654-64-4)

Guidance literature:

With sulfuric acid; sulfur trioxide; at 50 - 120 ℃;

upstream raw materials:

3-amino-1,5-naphthalenedisulfonic acid

naphthalene-2-sulfonate

naphthalene

naphthalene-1,5-disulfonate

Downstream raw materials:

8-amino-naphthalene-1,3,5-trisulfonic acid

8-nitronaphthalene-1,3,5-trisulphonic acid

3-hydroxy 2-methylbenzoic acid

Refernces

• 1、 -. "Device for preparing H-acid". Paragraph 0025; 0026. . Retrieved 2016/10/27.
• 2、 -. "SPECIFIC ANTAGONIST FOR BOTH E- AND P-SELECTINS". Page/Page column 15/22. . Retrieved 2010/02/11.