5-Amino-1-naphthalenesulfonic acid

Base Information

• Chemical Name: 5-Amino-1-naphthalenesulfonic acid
• CAS No.: 84-89-9
• Molecular Formula: C10H9NO3S
• Molecular Weight: 223.252
• Hs Code.: 2921450090
• European Community (EC) Number: 201-571-0,308-966-8
• NSC Number: 28691,7553
• UNII: W70WC365OD
• DSSTox Substance ID: DTXSID7058911
• Nikkaji Number: J4.904B
• Wikidata: Q27096091
• Metabolomics Workbench ID: 150359
• ChEMBL ID: CHEMBL589370
• Mol file: 84-89-9.mol

Synonyms:1-aminonaphthalene-5-sulfonate;1-naphthylamine-5-sulfonic acid

Chemical Property of 5-Amino-1-naphthalenesulfonic acid

Chemical Property:

• Appearance/Colour: White or pale pink needle-like crystal
• Melting Point: >300 °C
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 220°C (rough estimate)
• PKA: pK1: 3.69 (25°C)
• PSA: 88.77000
• Density: 1.502 g/cm³
• LogP: 3.33070
• Water Solubility.: Soluble in hot water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 223.03031432
• Heavy Atom Count: 15
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

1-Aminonaphthalene-5-sulfonicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)N
• Uses: 5-Aminonaphthalene-1-sulfonic acid is an deriva- tizing agents in the precolumn derivatization of some chiral phenoxy acid. Cu(II) based on a dansyl derivative was synthesized with 29.2% overall yield by a seven-step synthetic procedure from the readily available starting material 5-aminonaphthalene-1-sulfonic acid.

Technology Process of 5-Amino-1-naphthalenesulfonic acid

There total 26 articles about 5-Amino-1-naphthalenesulfonic 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: 45.0%

2C10H8NO3S(1-)*Mg(2+) → 1-aminonaphthalene-5-sulfonic acid (84-89-9)

Guidance literature:

With sulfuric acid; for 0.166667h;

Reference yield: 36.0%

C10H8NO3S(1-)*0.5Mg(2+) → 1-aminonaphthalene-5-sulfonic acid (84-89-9)

Guidance literature:

With sulfuric acid; at 88 - 92 ℃; for 0.166667h; pH=1 - 2;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 5-(2-hydroxy-[1]naphthylazo)-naphthalene-1-sulfonic acid (32651-58-4) → 1-aminonaphthalene-5-sulfonic acid (84-89-9) + 1-amino-2-naphthol (2834-92-6)

Guidance literature:

upstream raw materials:

1-naphthalenesulfonic acid

1-acetamidonaphthalene

5-nitronaphthalene-1-sulphonic acid

5-chloronaphthalene-1-sulfonic acid

Downstream raw materials:

5-amino-1-naphthol

1-hydroxynaphthalene-5-sulphonic acid

1,5-dihydroxynaphthalene

1-amino-naphthalene