4-Amino-3,5-dinitrobenzenesulfonic acid

Base Information

• Chemical Name: 4-Amino-3,5-dinitrobenzenesulfonic acid
• CAS No.: 98139-22-1
• Molecular Formula: C6H5N3O7S
• Molecular Weight: 263.188
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID40393665
• Wikidata: Q82192510
• Mol file: 98139-22-1.mol

Synonyms:4-amino-3,5-dinitrobenzenesulfonic acid;98139-22-1;SCHEMBL8066473;2,6-Dinitroanilin-4-Sulfosaure;DTXSID40393665;AKOS016004843;AC-27148;CS-0329975;FT-0701567

Chemical Property of 4-Amino-3,5-dinitrobenzenesulfonic acid

Chemical Property:

• PSA: 180.41000
• LogP: 3.04030
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 262.98482068
• Heavy Atom Count: 17
• Complexity: 394

Purity/Quality:

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

4-Amino-3,5-dinitrobenzenesulfonic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Amino-3,5-dinitrobenzenesulfonic acid

There total 4 articles about 4-Amino-3,5-dinitrobenzenesulfonic 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:

4-chloro-3,5-dinitrobenzenesulfonic acid (88-91-5) → 4-amino-3,5-dinitro-benzenesulfonic acid (98139-22-1)

Guidance literature:

With ammonium hydroxide;

DOI:10.1039/jr9480001002

Reference yield:

chlorobenzene (108-90-7) → 4-amino-3,5-dinitro-benzenesulfonic acid (98139-22-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / Zusatz von Kaliumnitrat zu der erhaltenen Loesung von 4-Chlor-benzol-sulfonsaeure-⁽¹⁾ und Erwaermen

2: ammonia

With sulfuric acid; ammonia;

Reference yield:

4-chloro-3,5-dinitrobenzenesulfonic acid (88-91-5) + ammonia (7664-41-7) → 4-amino-3,5-dinitro-benzenesulfonic acid (98139-22-1)

Guidance literature:

upstream raw materials:

4-chloro-3,5-dinitrobenzenesulfonic acid

ammonia

chlorobenzene

Downstream raw materials:

trinitrophenylnitramine

2,6-dinitroaniline