3-chlorobenzenesulfonic Acid

Base Information

• Chemical Name: 3-chlorobenzenesulfonic Acid
• CAS No.: 20677-52-5
• Molecular Formula: C6H5ClO3S
• Molecular Weight: 192.623
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID50942880
• Nikkaji Number: J622.704J
• Wikidata: Q72517136
• Mol file: 20677-52-5.mol

Synonyms:3-chlorobenzenesulfonic Acid;20677-52-5;3-Chloro-benzenesulfonic acid;Benzenesulfonic acid, 3-chloro-;3-Chlorobenzene-1-sulfonic acid;starbld0016958;SCHEMBL294451;DTXSID50942880;IQOJIHIRSVQTJJ-UHFFFAOYSA-N;AKOS015940019;AM100491;AS-60420;CS-0324027;FT-0750017

Chemical Property of 3-chlorobenzenesulfonic Acid

Chemical Property:

• PKA: -0.94±0.15(Predicted)
• PSA: 62.75000
• Density: 1.551
• LogP: 2.66750
• XLogP3: 1.5
• 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% ^*data from raw suppliers

3-CHLORO-BENZENESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-chlorobenzenesulfonic Acid

There total 15 articles about 3-chlorobenzenesulfonic 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:

methanol (67-56-1) + Benzoin-m-chlorphenylsulfonester (52813-74-8) → benzoin monomethyl ether (3524-62-7) + 3-chlorobenzenesulphonic acid (20677-52-5)

Guidance literature:

at 30 - 50 ℃; Kinetics; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);

Reference yield:

chlorobenzene (108-90-7) → chlorobenzene-2-sulfonic acid (27886-58-4) + 3-chlorobenzenesulphonic acid (20677-52-5) + 4-chloro-benzenesulfonic acid (98-66-8)

Guidance literature:

With sulfuric acid; at 190 ℃; for 6h; Product distribution; izomerization to the equilibrium;

Reference yield:

sulfuric acid (7664-93-9) + chlorobenzene (108-90-7) → 3-chlorobenzenesulphonic acid (20677-52-5) + 4-chloro-benzenesulfonic acid (98-66-8)

Guidance literature:

at 150 ℃;

upstream raw materials:

ethanol

4-chloro-2-sulfo-benzenediazonium-betaine

chlorobenzene

methanol

Downstream raw materials:

chlorobenzene-2-sulfonic acid

4-chloro-benzenesulfonic acid

chlorobenzene

N-phenyl-3-chlorobenzenesulfonamide

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