5-Chloro-2-hydroxy-3-nitrobenzenesulfonic acid

Base Information

• Chemical Name: 5-Chloro-2-hydroxy-3-nitrobenzenesulfonic acid
• CAS No.: 88-25-5
• Molecular Formula: C6H4 Cl N O6 S
• Molecular Weight: 253.62
• Hs Code.: 2908999090
• European Community (EC) Number: 618-131-2
• DSSTox Substance ID: DTXSID901248393
• Mol file: 88-25-5.mol

Synonyms:4-chloro-2-nitrophenol-6-sulfonic acid;5-chloro-2-hydroxy-3-nitrobenzenesulfonic acid;132983-46-1;88-25-5;SCHEMBL9190266;DTXSID901248393;FT-0618041;5-chloro-2-hydroxy-3-nitrobenzene-1-sulfonic acid

Chemical Property of 5-Chloro-2-hydroxy-3-nitrobenzenesulfonic acid

Chemical Property:

• PSA: 128.80000
• LogP: 2.80450
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 252.9447857
• Heavy Atom Count: 15
• Complexity: 346

Purity/Quality:

99%min ^*data from raw 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-])O)S(=O)(=O)O)Cl

Technology Process of 5-Chloro-2-hydroxy-3-nitrobenzenesulfonic acid

There total 5 articles about 5-Chloro-2-hydroxy-3-nitrobenzenesulfonic 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-hydroxy-5-chlorobenzenesulfonic acid (2051-65-2) → 5-chloro-2-hydroxy-3-nitro-benzenesulfonic acid (88-25-5)

Guidance literature:

With nitric acid;

Reference yield:

→ 5-chloro-2-hydroxy-3-nitro-benzenesulfonic acid (88-25-5)

Guidance literature:

With potassium hydroxide; Das Dikaliumsalz entsteht;

DOI:10.1007/BF01552444

Reference yield:

2,5-dichloro-3-nitro-benzenesulfonyl chloride (226572-69-6) → 2,5-dichloro-3-nitro-benzenesulfonic acid + 5-chloro-2-hydroxy-3-nitro-benzenesulfonic acid (88-25-5)

Guidance literature:

With potassium hydroxide;

DOI:10.1007/BF01552444

upstream raw materials:

2-hydroxy-5-chlorobenzenesulfonic acid

2,5-dichloro-3-nitro-benzenesulfonyl chloride

nitric acid

Downstream raw materials:

2-amino-4-chlorophenol-6-sulfonic acid

4-chloro-2,6-dinitrophenol