2-Chloro-benzenesulfonic acid

Base Information

• Chemical Name: 2-Chloro-benzenesulfonic acid
• CAS No.: 27886-58-4
• Molecular Formula: C6H5ClO3S
• Molecular Weight: 192.623
• DSSTox Substance ID: DTXSID10950567
• Nikkaji Number: J1.613.834G
• Wikidata: Q72517139
• Mol file: 27886-58-4.mol

Synonyms:2-Chloro-benzenesulfonic acid;chlorobenzenesulphonic acid;Benzenesulfonic acid,chloro;2-Chlor-benzolsulfonsaeure;chlorobenzene-2-sulfonic acid;chlorobenzenesulfonic acid;

Chemical Property of 2-Chloro-benzenesulfonic acid

Chemical Property:

• PKA: -1.12±0.15(Predicted)
• PSA: 62.75000
• Density: 1.551
• LogP: 2.66750
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.9647929
• Heavy Atom Count: 11
• Complexity: 219

Purity/Quality:

98.5% ^*data from raw suppliers

2-ChlorobenzenesulfonicAcidhydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)S(=O)(=O)O)Cl

Technology Process of 2-Chloro-benzenesulfonic acid

There total 12 articles about 2-Chloro-benzenesulfonic 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: 68.1%

→ chlorobenzene-2-sulfonic acid (27886-58-4)

Guidance literature:

With thionyl chloride; copper(l) chloride; sodium nitrite; In water; at -20 - 80 ℃; Acidic conditions;

Reference yield:

1-chloro-2-(4-chlorophenylsulfonyl)benzene (38980-51-7) → chlorobenzene-2-sulfonic acid (27886-58-4) + 4-chloro-benzenesulfonic acid (98-66-8)

Guidance literature:

With sulfuric acid; at 170 ℃; for 3h;

Reference yield:

chlorobenzene (108-90-7) → chlorobenzene-2-sulfonic acid (27886-58-4) + 4-chloro-benzenesulfonic acid (98-66-8)

Guidance literature:

With 1,1-dichloroethane; sulfur trioxide; at -12 ℃;

upstream raw materials:

chlorobenzene

3-chlorobenzenesulphonic acid

2-chlorophenylsulfonyl chloride

1,1-dichloroethane

Downstream raw materials:

4-chloro-benzenesulfonic acid

2-chloro-4-nitrobenzene sulfonic acid