2,5-Dichlorobenzenesulfonic acid

Base Information

• Chemical Name: 2,5-Dichlorobenzenesulfonic acid
• CAS No.: 88-42-6
• Deprecated CAS: 62203-25-2
• Molecular Formula: C6H4 Cl2 O3 S
• Molecular Weight: 227.068
• Hs Code.: 2904909090
• European Community (EC) Number: 201-829-2
• NSC Number: 8755
• UNII: 3518F21Z53
• DSSTox Substance ID: DTXSID7058967
• Nikkaji Number: J30.594D
• Wikidata: Q27256406
• Mol file: 88-42-6.mol

Synonyms:2,5-Dichlorobenzenesulfonic acid;88-42-6;2,5-dichloro-benzenesulfonic acid;2,5-Dichlorobenzenesulphonic acid;Benzenesulfonic acid, 2,5-dichloro-;2.5-Dichlorobenzenesulfonic acid;NSC 8755;NSC-8755;EINECS 201-829-2;AI3-62789;3518F21Z53;C6H4Cl2O3S;MFCD00035751;2,5-dichlorbenzensulfonsyre;SCHEMBL198460;2,5-Dichlorobenzenesulfonicacid;C6-H4-Cl2-O3-S;DTXSID7058967;NSC8755;UNII-3518F21Z53;STK288075;AKOS003394852;AM101462;BS-24053;CS-0181575;D0334;FT-0631417;Benzenesulfonic acid, 2,5-dichloro-, dihydrate;Q27256406

Chemical Property of 2,5-Dichlorobenzenesulfonic acid

Chemical Property:

• Melting Point: 97.0 to 101.0 °C
• PKA: -1.47±0.30(Predicted)
• PSA: 62.75000
• Density: 1.668
• LogP: 3.32090
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: almost transparency in Methanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 225.9258205
• Heavy Atom Count: 12
• Complexity: 246

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

2,5-Dichlorobenzenesulfonic Acid Dihydrate >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)S(=O)(=O)O)Cl

Technology Process of 2,5-Dichlorobenzenesulfonic acid

There total 8 articles about 2,5-Dichlorobenzenesulfonic 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:

para-dichlorobenzene (106-46-7,84348-21-0) → 2,5-dichlorobenzenesulfonic acid (88-42-6) + 2,5-dichlorobenzenesulphonyl chloride (5402-73-3)

Guidance literature:

With chlorosulfonic acid; at 21.9 ℃; Product distribution; Thermodynamic data; oth. temperature, var. ratio of reactants, E(activ.);

Reference yield:

chlorosulfonic acid (7790-94-5) + para-dichlorobenzene (106-46-7,84348-21-0) + sulfuric acid (7664-93-9) → 2,5-dichlorobenzenesulfonic acid (88-42-6) + 2,5-dichlorobenzenesulphonyl chloride (5402-73-3)

Guidance literature:

Reference yield:

para-dichlorobenzene (106-46-7,84348-21-0) → 2,5-dichlorobenzenesulfonic acid (88-42-6) + bis-(2,5-dichloro-phenyl)-sulfone (69925-17-3)

Guidance literature:

With sulfuric acid; at 140 - 150 ℃;

upstream raw materials:

para-dichlorobenzene

sulfur trioxide

sulfuric acid

chlorosulfonic acid

Downstream raw materials:

para-dichlorobenzene

4,4'-sulfonylbis(1,3-dimethylbenzene)

sulfuric acid

Ag⁽¹⁺⁾*C₆H₃Cl₂O₃S^(1-)*C₆H₈N₂O₃=AgC₁₂H₁₁Cl₂N₂O₆S

Refernces