4-Hydroxy-3-nitrobenzenesulphonic acid

Base Information

• Chemical Name: 4-Hydroxy-3-nitrobenzenesulphonic acid
• CAS No.: 616-85-3
• Molecular Formula: C6H5 N O6 S
• Molecular Weight: 219.175
• European Community (EC) Number: 210-496-2
• UNII: S6LGC2WZU2
• DSSTox Substance ID: DTXSID30210610
• Nikkaji Number: J28.723G
• Wikidata: Q83085367
• Mol file: 616-85-3.mol

Synonyms:4-hydroxy-3-nitrobenzenesulfonic acid;616-85-3;4-Hydroxy-3-nitrobenzenesulphonic acid;benzenesulfonic acid, 4-hydroxy-3-nitro-;S6LGC2WZU2;EINECS 210-496-2;4-Sulfo-2-nitrophenol;UNII-S6LGC2WZU2;SCHEMBL51033;DTXSID30210610;MFCD00769337;STK371994;AKOS005446490;4-HYDROXY-3-NITROPHENYLSULFONIC ACID;4-HYDROXY-3-NITROBENZENESULFONIC ACID, S ODIUM SALT, 90%

Chemical Property of 4-Hydroxy-3-nitrobenzenesulphonic acid

Chemical Property:

• PSA: 128.80000
• Density: 1.789g/cm3
• LogP: 2.15110
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 218.98375805
• Heavy Atom Count: 14
• Complexity: 314

Purity/Quality:

99%, ^*data from raw 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-])O

Technology Process of 4-Hydroxy-3-nitrobenzenesulphonic acid

There total 17 articles about 4-Hydroxy-3-nitrobenzenesulphonic 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:

2-hydroxynitrobenzene (88-75-5,78813-12-4) → 4-hydroxy-3-nitrobenzene sulfonic acid (616-85-3)

Guidance literature:

With sulfuric acid; Edukt 2: rauch.Schwefelsaeure;

Reference yield:

→ 4-hydroxy-3-nitrobenzene sulfonic acid (616-85-3)

Guidance literature:

With water; nitric acid; at 60 ℃;

Reference yield:

phenol (108-95-2,27073-41-2) → 4-hydroxy-3-nitrobenzene sulfonic acid (616-85-3)

Guidance literature:

With sulfuric acid; at 125 - 130 ℃; Verduennen mit Wasser, Abkuehlen und Giessen in eine waessr. Loesung von Natriumnitrat;

upstream raw materials:

p-hydoroxybenzenesulfonic acid

3-nitro-4-chlorobenzenesulfonic acid

2-nitroaniline-4-sulfonic acid

4-bromo-3-nitro-benzenesulfonic acid

Downstream raw materials:

2,4-dibromo-6-nitrophenol

2,4-dichloro-6-nitrophenol

3-bromo-4-hydroxy-5-nitro-benzenesulfonic acid

oxalic acid