5-CHLORO-2,4-DIFLUOROBENZENESULFONYL CHLORIDE

Base Information

• Chemical Name: 5-CHLORO-2,4-DIFLUOROBENZENESULFONYL CHLORIDE
• CAS No.: 13656-57-0
• Molecular Formula: C6H2Cl2F2O2S
• Molecular Weight: 247.049
• Hs Code.: 2904909090
• European Community (EC) Number: 638-922-6
• DSSTox Substance ID: DTXSID70378526
• Nikkaji Number: J3.567.859J
• Wikidata: Q72518406
• Mol file: 13656-57-0.mol

Synonyms:5-Chloro-2,4-difluorobenzenesulfonylchloride;5-Chloro-2,4-difluorophenylsulfonyl chloride;

Chemical Property of 5-CHLORO-2,4-DIFLUOROBENZENESULFONYL CHLORIDE

Chemical Property:

• Vapor Pressure: 0.0293mmHg at 25°C
• Melting Point: 24 °C
• Refractive Index: 1.516
• Boiling Point: 289.1 °C at 760 mmHg
• Flash Point: 128.6 °C
• PSA: 42.52000
• Density: 1.686 g/cm³
• LogP: 3.62650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 245.9120622
• Heavy Atom Count: 13
• Complexity: 277

Purity/Quality:

98% ^*data from raw suppliers

5-Chloro-2,4-difluorobenzenesulfonylchloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)Cl)S(=O)(=O)Cl)F

Technology Process of 5-CHLORO-2,4-DIFLUOROBENZENESULFONYL CHLORIDE

There total 2 articles about 5-CHLORO-2,4-DIFLUOROBENZENESULFONYL 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:

5-Chlor-2.4-difluor-benzolsulfonsaeure-fluorid (3782-66-9) → 5-chloro-2,4-difluorobenzene-1-sulfonyl chloride (13656-57-0)

Guidance literature:

With chlorosulfonic acid;

Reference yield:

2,4,5-trichlorobenzenesulfonyl fluoride (26120-89-8) → 5-chloro-2,4-difluorobenzene-1-sulfonyl chloride (13656-57-0)

Guidance literature:

Multi-step reaction with 2 steps

1: KF / 240 - 250 °C

2: ClSO₃H

With chlorosulfonic acid; potassium fluoride;

Reference yield: 97.0%

5-chloro-2,4-difluorobenzene-1-sulfonyl chloride (13656-57-0) + tert-butyl isothiazol-3-ylcarbamate (72592-18-8) → tert-butyl ((5-chloro-2,4-difluorophenyl)sulfonyl)(isothiazol-3-yl)carbamate

Guidance literature:

tert-butyl isothiazol-3-ylcarbamate; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - 20 ℃; for 1.16667h;

5-chloro-2,4-difluorobenzene-1-sulfonyl chloride; In tetrahydrofuran; at -78 - 20 ℃; for 12h;

upstream raw materials:

5-Chlor-2.4-difluor-benzolsulfonsaeure-fluorid

2,4,5-trichlorobenzenesulfonyl fluoride

Downstream raw materials:

5-Chlor-2.4-difluor-benzolsulfonsaeure-amid

5-Chlor-2,4-difluor-benzolsulfonsaeure-anilid

5-Chlor-2.4-difluor-benzolsulfonsaeure-phenylester

5-Chloro-2-fluoro-4-({3-[2-(piperazin-1-yl)pyridin-4-yl]-4'-(trifluoromethyl)biphenyl-4-yl}oxy)-N-(pyrimidin-4-yl)benzenesulfonamide hydrochloride salt