1,7-Naphthalenedisulfonic acid

Base Information

• Chemical Name: 1,7-Naphthalenedisulfonic acid
• CAS No.: 5724-16-3
• Molecular Formula: C10H8O6S2
• Molecular Weight: 288.302
• European Community (EC) Number: 611-488-5
• DSSTox Substance ID: DTXSID40276020
• Nikkaji Number: J170.899F
• Wikidata: Q82006328
• Mol file: 5724-16-3.mol

Synonyms:Naphthalene-1,7-disulfonic Acid;1,7-Naphthalenedisulfonic acid;5724-16-3;1,7-naphthalenesulfonic acid;SCHEMBL479266;DTXSID40276020;EN300-708872

Chemical Property of 1,7-Naphthalenedisulfonic acid

Chemical Property:

• PSA: 125.50000
• Density: 1.704g/cm3
• LogP: 3.49480
• Storage Temp.: 4°C, Hygroscopic
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 287.97623032
• Heavy Atom Count: 18
• Complexity: 498

Purity/Quality:

95% ^*data from raw suppliers

1,7-NaphthalenedisulfonicAcid ^*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=C2)S(=O)(=O)O)C(=C1)S(=O)(=O)O
• Uses: 1,7-Naphthalenedisulfonic Acid is an environmental pollutant.

Technology Process of 1,7-Naphthalenedisulfonic acid

There total 7 articles about 1,7-Naphthalenedisulfonic 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: 4.0%

naphthalene-2-sulfonate (120-18-3) → 2,7-naphthalenedisulfonic acid (92-41-1) + naphthalene-2,6-disulfonic acid (581-75-9) + naphthalene-1,7-disulphonic acid (5724-16-3) + naphthalene-1,6-disulfonic acid (525-37-1) + naphthalene-1,3-disulfonic acid (6094-26-4) + naphthalene-1,3,6-trisulfonic acid (86-66-8)

Guidance literature:

With sulfuric acid; at 25 ℃; Product distribution; further reaction with 105.2percent H₂SO₄;

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:

1-naphthalenesulfonic acid (85-47-2) → naphthalene-1,7-disulphonic acid (5724-16-3) + naphthalene-1,6-disulfonic acid (525-37-1) + 5-sulfonaphthalene-1-sulfonic anhydride (87231-06-9) + naphthalene-1,5-disulfonate (81-04-9)

Guidance literature:

With sulfuric acid; at 25 ℃; Product distribution; further reaction with 105.2percent H₂SO₄;

upstream raw materials:

naphthalene-2-sulfonate

1-naphthalenesulfonic acid

naphthalene

sulfuric acid

Refernces

• 1、 Wit, Peter De,Cerfontain, Hans. "On the positional reactivity order in the sulfuric acid sulfonation of the two naphthalenesulfonic acids". . p. 1453 - 1455. Retrieved 2007/10/02.