6-Amino-2-naphthalenesulfonic acid

Base Information

• Chemical Name: 6-Amino-2-naphthalenesulfonic acid
• CAS No.: 93-00-5
• Molecular Formula: C10H9NO3S
• Molecular Weight: 223.252
• Hs Code.: 2921450090
• European Community (EC) Number: 202-208-9,257-879-0
• NSC Number: 31511,4985
• UNII: 8K80BTS68A
• DSSTox Substance ID: DTXSID4044743
• Nikkaji Number: J4.665E
• Wikidata: Q15726102
• Metabolomics Workbench ID: 53800
• ChEMBL ID: CHEMBL3187325
• Mol file: 93-00-5.mol

Synonyms:2-Amino-6-naphthalenesulfonicacid;2-Amino-6-naphthylsulfonic acid;2-Amino-6-sulfonaphthalene;2-Naphthylamine-6-sulfonic acid;2-Naphthylamino-6-sulfonic acid;6-Naphthylamine-2-sulfonic acid;6-Sulfo-2-naphthylamine;Amino-Schaeffer acid;Bronner acid;Bronner's acid;NSC 31511;NSC 4985;PontamineFast Scarlet 4BA;

Chemical Property of 6-Amino-2-naphthalenesulfonic acid

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid.
• Vapor Pressure: 0Pa at 25℃
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 500oC
• PKA: -0.08±0.40(Predicted)
• PSA: 88.77000
• Density: 1.502 g/cm³
• LogP: 3.33070
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: 0.12g/L(20 oC)
• XLogP3: -0.1
• 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:

99.9% ^*data from raw suppliers

6-AMINO-2-NAPHTHALENESULFONIC ACID ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1N
• Uses: 6-Amino-2-naphthalenesulfonic Acid is used in the synthesis of diaryl urea derivatives bearing sulfonamide moiety with an in vitro antitumor activity.

Technology Process of 6-Amino-2-naphthalenesulfonic acid

There total 26 articles about 6-Amino-2-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: 100.0%

2-aminonaphthalene-6(8)-sulfonic acid + β-naphthol (135-19-3) → Bronner acid (93-00-5)

Guidance literature:

With hydrogenchloride; ammonia; In water;

Reference yield:

→ 7-aminonaphthalene-2-sulfonic acid (494-44-0) + Bronner acid (93-00-5)

Guidance literature:

With sulfuric acid; at 160 - 170 ℃;

DOI:10.1111/j.1748-0361.2000.tb00469.x DOI:10.1111/j.1748-0361.2000.tb00458.x

Reference yield:

7-aminonaphthalene-1-sulfonic acid (86-60-2) → 7-aminonaphthalene-2-sulfonic acid (494-44-0) + Bronner acid (93-00-5)

Guidance literature:

With sulfuric acid; at 160 ℃;

upstream raw materials:

7-aminonaphthalene-1-sulfonic acid

6-aminonaphthalene-1-sulfonic acid

2-amino-1,5-naphthalenedisulfonic acid

2-naphthol-6-sulfonic acid

Downstream raw materials:

2-anilinonaphthalene-6-sulfonic acid

2-amino-naphthalene-1,6-disulfonic acid

2-aminonaphthalene-6,8-disulfonate

naphthalene-1,6-disulfonic acid

Refernces

• 1、 -. "Single-vessel process for preparing 2-acetaminonaphthalene-6-sulfonic acid of high purity". . . Retrieved 2008/06/13.
• 2、 -. "Fiber reactive monoazo compounds having two vinylsulfone type fiber reactive groups in the molecule". . . Retrieved 2008/06/13.