2-CHLORO-5-NITROBENZENESULFONIC ACID

Base Information

• Chemical Name: 2-CHLORO-5-NITROBENZENESULFONIC ACID
• CAS No.: 96-73-1
• Deprecated CAS: 1323551-43-4
• Molecular Formula: C6H4ClNO5S
• Molecular Weight: 237.62
• Hs Code.: 2904909090
• European Community (EC) Number: 202-528-9
• NSC Number: 5375
• DSSTox Substance ID: DTXSID3059137
• Nikkaji Number: J3.575K
• Wikidata: Q72455693
• Mol file: 96-73-1.mol

Synonyms:4-Nitro-2-sulfochlorobenzene;4-Nitro-1-chlorobenzene-2-sulfonic acid;4-Chloro-1-nitro-3-sulfobenzene;3-Sulfo-4-chloronitrobenzene;1-Chloro-4-nitrobenzene-2-sulfonicacid;NSC 5375;

Chemical Property of 2-CHLORO-5-NITROBENZENESULFONIC ACID

Chemical Property:

• Appearance/Colour: tan solid
• Melting Point: >300 °C
• Refractive Index: 1.623
• PSA: 108.57000
• Density: 1.747 g/cm³
• LogP: 3.09890
• Storage Temp.: Refrigerator
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 236.9498711
• Heavy Atom Count: 14
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-5-nitrobenzenesulfonicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrobenzesulfonic Acids
• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)Cl

Technology Process of 2-CHLORO-5-NITROBENZENESULFONIC ACID

There total 4 articles about 2-CHLORO-5-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: 98.0%

4-chlorobenzonitrile (100-00-5) → 2-chloro-5-nitro-benzenesulfonic acid (96-73-1)

Guidance literature:

With sulfuric acid; at 125 ℃; for 5h; Product distribution; other temperatures, other reaction times;

Reference yield:

2,5-diaminobenzenesulfonic acid (88-45-9) + chloranil (118-75-2) → 2-chloro-5-nitro-benzenesulfonic acid (96-73-1)

Guidance literature:

With sodium hydroxide; In ice-water; water;

Reference yield:

sulfuric acid (7664-93-9) + 4-chlorobenzonitrile (100-00-5) → 2-chloro-5-nitro-benzenesulfonic acid (96-73-1)

Guidance literature:

upstream raw materials:

4-chlorobenzonitrile

sulfuric acid

2,5-diaminobenzenesulfonic acid

chloranil

Downstream raw materials:

2-chloro-5-nitro-benzenesulfonic acid-(4-bromo-phenacyl ester)

2-anilino-5-nitro-benzenesulfonic acid

5-nitro-2-(4-nitro-phenylsulfanyl)-benzenesulfonic acid

2-(3-dimethylamino-anilino)-5-nitro-benzenesulfonic acid

Refernces

• 1、 -. "METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS". Paragraph 0091-0092. . Retrieved 2016/05/10.
• 2、 Pan, Li,Jiang, Ying,Liu, Zhen,Liu, Xing-Hai,Liu, Zhuo,Wang, Gang,Li, Zheng-Ming,Wang, Di. "Synthesis and evaluation of novel monosubstituted sulfonylurea derivatives as antituberculosis agents". experimental part. p. 18 - 26. Retrieved 2012/07/01.