1,3,6-Naphthalenetrisulfonic acid, 8-amino-

Base Information

• Chemical Name: 1,3,6-Naphthalenetrisulfonic acid, 8-amino-
• CAS No.: 117-42-0
• Molecular Formula: C10H9NO9S3
• Molecular Weight: 383.381
• Hs Code.: 2921499090
• European Community (EC) Number: 204-188-7,226-431-6
• NSC Number: 227195
• UNII: D33V8NB7KB
• DSSTox Substance ID: DTXSID5059454
• Nikkaji Number: J173.257I
• Wikidata: Q27276032
• ChEMBL ID: CHEMBL145537
• Mol file: 117-42-0.mol

Synonyms:1,3,6-ANTS;1-aminonaphthalene-3,6,8-trisulfonic acid;8-amino-1,3,6-naphthalenetrisulfonic acid;8-amino-1,3,6-naphthalenetrisulfonic acid, sodium salt;8-amino-1,3,6-naphthalenetrisulfonic acid, trisodium salt;8-aminonapthalene 1,3,6-trisulfonate;aminonaphthalenetrisulfonic acid

Chemical Property of 1,3,6-Naphthalenetrisulfonic acid, 8-amino-

Chemical Property:

• PKA: -1.62±0.40(Predicted)
• PSA: 214.27000
• Density: 1.974 g/cm³
• LogP: 3.98570
• XLogP3: -1.3
• 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:

98%,99%, ^*data from raw suppliers

8-AMINO-1,3,6-NAPHTHALENETRISULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O

Technology Process of 1,3,6-Naphthalenetrisulfonic acid, 8-amino-

There total 10 articles about 1,3,6-Naphthalenetrisulfonic acid, 8-amino- 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: 90.0%

8-nitronaphthalene-1,3,6-trisulphonic acid (38267-31-1) → 8-amino-naphthalene-1,3,6-trisulfonic acid (117-42-0)

Guidance literature:

With trichlorosilane; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 0 - 20 ℃; for 12h; Inert atmosphere;

Reference yield: 80.0%

1-Methylpyrrolidine (120-94-5) + sodium salt of 1-nitronaphthalene-3,6,8-trisulphonic acid → 8-amino-naphthalene-1,3,6-trisulfonic acid (117-42-0)

Guidance literature:

In water;

Reference yield:

naphthalene (91-20-3,71998-51-1,72931-45-4) → 8-amino-naphthalene-1,3,6-trisulfonic acid (117-42-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid / 100 - 165 °C

1.2: 10.75 h / 30 - 165 °C

2.1: nitric acid / 10 °C

3.1: iron / 60 °C

3.2: 80 - 90 °C

With sulfuric acid; nitric acid; iron;

upstream raw materials:

8-nitronaphthalene-1,3,6-trisulphonic acid

hydrogenchloride

1,1-dioxo-2H-1λ⁶-naphth[1,8-cd]isothiazole-4,7-disulfonic acid

sulfuric acid

Downstream raw materials:

octachloronaphthalene

C₂₃H₂₃NO₁₄S₃

C₁₉H₁₃Cl₂N₅O₉S₃

C₁₇H₁₄N₂O₁₁S₃

Refernces

• 1、 -. "Denitrification and neutralization process of H-acid monosodium salt". Paragraph 0020; 0021; 0022; 0023. . Retrieved 2018/07/06.
• 2、 -. "Device for preparing H-acid". Paragraph 0038; 0039; 0040. . Retrieved 2016/10/27.