2,5-Dichlorobenzenesulfonyl chloride

Base Information

• Chemical Name: 2,5-Dichlorobenzenesulfonyl chloride
• CAS No.: 5402-73-3
• Molecular Formula: C6H3Cl3O2S
• Molecular Weight: 245.514
• Hs Code.: 29049090
• European Community (EC) Number: 226-453-6
• NSC Number: 8545
• UNII: B9L46SY33B
• DSSTox Substance ID: DTXSID7063841
• Nikkaji Number: J28.773C
• Wikidata: Q72465498
• Mol file: 5402-73-3.mol

Synonyms:Benzenesulfonyl chloride, 2,5-dichloro-;2, 5-Dichlorobenzenesulfonyl chloride;2,5-Dichlorobenzene-1-Sulfonyl Chloride;

Chemical Property of 2,5-Dichlorobenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: beige crystalline powder
• Vapor Pressure: 0.000383mmHg at 25°C
• Melting Point: 36-37 °C(lit.)
• Refractive Index: 1.581
• Boiling Point: 327.6 °C at 760 mmHg
• Flash Point: 151.9 °C
• PSA: 42.52000
• Density: 1.636 g/cm³
• LogP: 4.00170
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform, DMSO
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 243.891934
• Heavy Atom Count: 12
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dichlorobenzenesulfonyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C1=CC(=C(C=C1Cl)S(=O)(=O)Cl)Cl
• Uses: 2,5-Dichlorobenzenesulfonyl Chloride is used in the synthesis of sulfonamide derivatives that show antibacterial activity. 2,5-Dichlorobenzenesulfonyl chloride was used to study the synthesis and structure–activity profile of benzoxazole benzenesulfonamide analogs.

Technology Process of 2,5-Dichlorobenzenesulfonyl chloride

There total 8 articles about 2,5-Dichlorobenzenesulfonyl chloride 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: 55.0%

2,5-dichlorbenzenethiol (5858-18-4) → 2,5-dichlorobenzenesulphonyl chloride (5402-73-3)

Guidance literature:

With ammonium nitrate; hydrogenchloride; oxygen; In water; acetonitrile; at 60 ℃; for 5h; Green chemistry;

DOI:10.1039/c7gc00556c

Reference yield:

para-dichlorobenzene (106-46-7,84348-21-0) → 2,5-dichlorobenzenesulphonyl chloride (5402-73-3)

Guidance literature:

With chlorosulfonic acid; at 150 ℃;

Reference yield:

2,5-dichlorobenzenesulfonic acid (88-42-6) → 2,5-dichlorobenzenesulphonyl chloride (5402-73-3)

Guidance literature:

With chlorosulfonic acid; sulfuric acid;

upstream raw materials:

para-dichlorobenzene

2,5-dichlorobenzenesulfonic acid

chlorosulfonic acid

sulfuric acid

Downstream raw materials:

2,5-dichloro-benzenethiosulfonic acid S-(2,5-dichloro-phenyl ester)

2,5-Dichloro-N-(4-pyridylmethyl)benzenesulfonamide

2,5-Dichloro-benzenethiosulfonic acid S-phenyl ester

2,5-dichloro-N-(5-chloro-2-benzoxazolyl)benzenesulfonamide

Refernces

• 1、 -. "Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists". . . Retrieved 2008/06/13.
• 2、 -. "Quinolinoxy phenylsulphonamides". . . Retrieved 2008/06/13.