2,5-Difluorobenzenesulfonyl chloride

Base Information

• Chemical Name: 2,5-Difluorobenzenesulfonyl chloride
• CAS No.: 26120-86-5
• Molecular Formula: C6H3ClF2O2S
• Molecular Weight: 212.604
• Hs Code.: 29049090
• DSSTox Substance ID: DTXSID10371697
• Wikidata: Q72462459
• Mol file: 26120-86-5.mol

Synonyms:2,5-Difluorobenzenesulfonyl chloride;26120-86-5;2,5-Difluorobenzene-1-Sulfonyl Chloride;2,5-Difluorobenzenesulphonyl chloride;Benzenesulfonyl chloride, 2,5-difluoro-;2,5-difluoro-benzenesulfonyl chloride;SCHEMBL574988;DTXSID10371697;2,5-difluorobenzensulfonylchloride;CELLJWUVMKEJDY-UHFFFAOYSA-N;2,5-Difluorobenzenesulfonylchloride;2,5-difluorobenzensulfonyl chloride;2,5-Difluorophenylsulfonyl chloride;BBL013793;MFCD00060682;STK500489;2,5-difluorobenzene sulfonyl chloride;AKOS000123014;AM62493;CS-W010484;2,5-Difluorobenzene-1-SulfonylChloride;PS-10900;2,5-Difluorobenzenesulfonyl chloride, 97%;FT-0638577;EN300-12390;J-507336;F1967-0685

Chemical Property of 2,5-Difluorobenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: Clear colorless to yellow liquid
• Vapor Pressure: 0.0792mmHg at 25°C
• Refractive Index: n20/D 1.516(lit.)
• Boiling Point: 234.8 °C at 760 mmHg
• Flash Point: 95.8 °C
• PSA: 42.52000
• Density: 1.58 g/cm³
• LogP: 2.97310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 211.9510345
• Heavy Atom Count: 12
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

2,5-Difluorobenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Difluorobenzenesulfonyl chloride

There total 2 articles about 2,5-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:

2,5-difluoroaniline (367-30-6) → 2,5-difluorobenzenesulfonyl chloride (26120-86-5)

Guidance literature:

With hydrogenchloride; acetic acid; sodium nitrite; copper(I) chloride; In ethanol; water;

Reference yield:

para-difluorobenzene (540-36-3) → 2,5-difluorobenzenesulfonyl chloride (26120-86-5)

Guidance literature:

With chlorosulfonic acid; thionyl chloride; at 55 - 60 ℃; for 3h;

Reference yield: 94.5%

2,5-difluorobenzenesulfonyl chloride (26120-86-5) + methyl 3-amino-4-fluorobenzoate (369-26-6) → methyl 3-(2,5-difluorophenylsulfonamido)-4-fluorobenzoate (1195768-44-5)

Guidance literature:

With pyridine; dmap; In dichloromethane; at 0 - 20 ℃;

upstream raw materials:

para-difluorobenzene

2,5-difluoroaniline

Downstream raw materials:

methyl 2-{[(2,5-difluorophenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-1-naphthalenecarboxylate

C₆H₃F₂O₂S^(1-)*Na⁽¹⁺⁾

isopropyl 2-methyl-3,6-difluorobenzenesulfonate

isopropyl 2-ethyl-3,6-difluorobenzenesulfonate

Refernces

• 1、 -. "Asymmetric hydrogenation process". Page/Page column 5-6. . Retrieved 2008/06/13.