4-Aminonaphthalene-1,3,6-trisulfonic acid

Base Information

• Chemical Name: 4-Aminonaphthalene-1,3,6-trisulfonic acid
• CAS No.: 61986-93-4
• Molecular Formula: C10H9NO9S3
• Molecular Weight: 383.381
• DSSTox Substance ID: DTXSID30513577
• Nikkaji Number: J173.241B
• Wikidata: Q82373459
• Mol file: 61986-93-4.mol

Synonyms:4-aminonaphthalene-1,3,6-trisulfonic acid;61986-93-4;SCHEMBL1755145;DTXSID30513577;SWHYBBGFRAEKOS-UHFFFAOYSA-N;1-aminonaphthalene-2,4,7-trisulphonic acid

Chemical Property of 4-Aminonaphthalene-1,3,6-trisulfonic acid

Chemical Property:

• Refractive Index: 1.6800 (estimate)
• PSA: 214.27000
• Density: 1.7995 (rough estimate)
• LogP: 3.98570
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 382.94394439
• Heavy Atom Count: 23
• Complexity: 756

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)O)C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)N

Technology Process of 4-Aminonaphthalene-1,3,6-trisulfonic acid

There total 1 articles about 4-Aminonaphthalene-1,3,6-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:

1,8-dinitronaphthalene (602-38-0) → 4-aminonaphthalene-1,6-disulfonic acid (85-75-6) + 1-aminonaphthalene-2,4,7-trisulphonic acid (61986-93-4)

Guidance literature:

With sulfite salt; at 70 - 90 ℃; Reaktion ueber mehrere Stufen;

Reference yield:

1-aminonaphthalene-2,4,7-trisulphonic acid (61986-93-4) → naphthalene-1,3,6-trisulfonic acid (86-66-8)

Guidance literature:

durch Austausch von NH₂ gegen H;

upstream raw materials:

1,8-dinitronaphthalene

Downstream raw materials:

naphthalene-1,3,6-trisulfonic acid