2-Nitroaniline-4-sulfonic acid

Base Information

• Chemical Name: 2-Nitroaniline-4-sulfonic acid
• CAS No.: 616-84-2
• Molecular Formula: C6H6N2O5S
• Molecular Weight: 218.19
• Hs Code.: 2921420090
• European Community (EC) Number: 210-495-7
• NSC Number: 638700,51813,39866
• DSSTox Substance ID: DTXSID3060669
• Nikkaji Number: J79.745F
• Wikidata: Q72494246
• Mol file: 616-84-2.mol

Synonyms:2-Nitroaniline-4-sulfonic acid;616-84-2;4-Amino-3-nitrobenzenesulfonic acid;Benzenesulfonic acid, 4-amino-3-nitro-;o-Nitroaniline-p-sulfonic acid;4-Amino-3-nitrobenzene-1-sulfonic acid;Sulfanilic acid, 3-nitro-;NSC 51813;3-Nitro-4-aminobenzenesulfonic acid;EINECS 210-495-7;4-Amino-3-nitrobenzenesulphonic acid;NSC 39866;NSC638700;4-amino-3-nitrobenzene-1-sulphonic acid;4-amino-3-nitro-benzenesulfonic acid;SCHEMBL1131324;DTXSID3060669;4-Amino-3-nitrobenzenesulfonicacid;NSC39866;NSC51813;MFCD00035961;NSC-39866;NSC-51813;2-amino-nitrobenzene-5-sulfonic acid;AKOS015889699;NSC-638700;CS-0454291;FT-0602491;E80407;A833363;4-Amino-3-(hydroxy(oxido)amino)benzenesulfonic acid;W-105115

Chemical Property of 2-Nitroaniline-4-sulfonic acid

Chemical Property:

• Appearance/Colour: Light yellow crystalline powder
• Melting Point: >300 °C
• Refractive Index: 1.6490 (estimate)
• PKA: -0.55±0.50(Predicted)
• PSA: 134.59000
• Density: 1.727 g/cm³
• LogP: 2.60890
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 217.99974247
• Heavy Atom Count: 14
• Complexity: 316

Purity/Quality:

99.9% ^*data from raw suppliers

4-Amino-3-nitrobenzene-1-sulfonic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])N

Technology Process of 2-Nitroaniline-4-sulfonic acid

There total 12 articles about 2-Nitroaniline-4-sulfonic 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: 93.0%

3-nitro-4-chlorobenzenesulfonic acid (121-18-6) → 2-nitroaniline-4-sulfonic acid (616-84-2)

Guidance literature:

With ammonium hydroxide; In ethanol; at 100 ℃; for 6h; Sealed tube;

DOI:10.1002/ardp.200900199

Reference yield:

→ 2-nitroaniline-4-sulfonic acid (616-84-2)

Guidance literature:

With ammonium hydroxide; at 140 ℃; under 14710.2 Torr;

Reference yield:

2-nitro-aniline (88-74-4) → 2-nitroaniline-4-sulfonic acid (616-84-2)

Guidance literature:

With sulfuric acid;

upstream raw materials:

4-bromo-3-nitro-benzenesulfonic acid

2-nitro-aniline

Acetanilid

3-nitro-4-chlorobenzenesulfonic acid

Downstream raw materials:

4-Hydrazino-3-nitro-benzolsulfonsaeure

4-hydroxy-3-nitrobenzene sulfonic acid

2,4-dibromo-6-nitroaniline

4-amino-3-nitrobenzenesulfonyl chloride

Refernces

• 1、 -. "Bisazo brown reactive dye". . . Retrieved 2008/06/13.
• 2、 Niclas, Hans-Joachim,Bohle, Matthias,Rick, Jens-Detlev,Zeuner, Frank,Zoelch, Lothar. "Eine einfache Methode zur Darstellung von Aminonitrobenzenderivaten". . p. 137 - 138. Retrieved 2007/10/02.