2,4,5-Trichlorobenzenesulfonic acid

Base Information

• Chemical Name: 2,4,5-Trichlorobenzenesulfonic acid
• CAS No.: 6378-25-2
• Molecular Formula: C6H3 Cl3 O3 S
• Molecular Weight: 261.513
• Hs Code.: 2930909090
• European Community (EC) Number: 228-950-3,258-548-3
• UNII: 79E5O201YO
• DSSTox Substance ID: DTXSID2045072
• Nikkaji Number: J206.983K
• Wikidata: Q27266754
• ChEMBL ID: CHEMBL3188925
• Mol file: 6378-25-2.mol

Synonyms:2,4,5-Trichlorobenzenesulfonic acid;6378-25-2;2,4,5-Trichlorobenzenesulphonic acid;2,4,5-Trichlorobenzenesulfonic Acid Hydrate;UNII-79E5O201YO;DTXSID2045072;79E5O201YO;EINECS 228-950-3;Sodium 2,4,5-trichlorobenzenesulphonate;2,4,5-Trichloro Phenyl Sulfonic Acid;SCHEMBL826419;CHEMBL3188925;DTXCID0025072;2,4,5-trichlorobenzensulphonic acid;Tox21_301801;AKOS015897662;Benzenesulfonic acid, 2,4,5-trichloro-;NCGC00256119-01;AC-18242;BS-44025;CAS-6378-25-2;B0248;CS-0454546;D88618;2,4,5-trichlorobenzenesulfonic acid, AldrichCPR;A868037;Q27266754

Chemical Property of 2,4,5-Trichlorobenzenesulfonic acid

Chemical Property:

• PKA: -1.70±0.50(Predicted)
• PSA: 62.75000
• Density: 1.766±0.06 g/cm3(Predicted)
• LogP: 3.97430
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: almost transparency
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 259.886848
• Heavy Atom Count: 13
• Complexity: 273

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,5-TrichlorobenzenesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,5-Trichlorobenzenesulfonic acid

There total 7 articles about 2,4,5-Trichlorobenzenesulfonic 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: 96.5%

1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 2,4,5-trichlorobenzenesulphonic acid (6378-25-2)

Guidance literature:

With sulfur trioxide; In 1,2-dichloro-ethane; at 30 ℃; for 0.0416667h; Temperature; Solvent;

Reference yield:

sodium 4-carboxymethylthio-2,5-dichlorobenzenesulfonate (143851-35-8) → 2,5-Dichlorophenylmercaptoacetic acid + 2,4,5-trichlorobenzenesulphonic acid (6378-25-2)

Guidance literature:

With sulfuric acid;

Reference yield:

2,4-Dichloroaniline (554-00-7,51908-09-9) → 2,4,5-trichlorobenzenesulphonic acid (6378-25-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Diazotization

2: fuming sulfuric acid

With sulfuric acid;

upstream raw materials:

1,2,4-Trichlorobenzene

2,4-Dichloroaniline

m,p-dichloroaniline

2,4-dichlorophenol

Refernces

• 1、 -. "Synthesis method of 2, 4, 5-trichlorobenzenesulfonic acid". Paragraph 0040-0084. . Retrieved 2021/07/24.