Cas no 220239-64-5 (2,4,6-trifluorobenzene-1-sulfonyl chloride)

2,4,6-Trifluorobenzene-1-sulfonyl chloride is a fluorinated aromatic sulfonyl chloride derivative widely used as a key intermediate in organic synthesis, particularly in the preparation of sulfonamides and sulfonate esters. Its highly electron-deficient aromatic ring, due to the presence of three fluorine substituents, enhances reactivity in nucleophilic substitution and coupling reactions. The compound is valued for its stability, high purity, and compatibility with a range of reagents, making it suitable for pharmaceutical and agrochemical applications. Its selective reactivity allows for precise functionalization in complex molecular frameworks. Proper handling under anhydrous conditions is recommended due to its moisture sensitivity.
2,4,6-trifluorobenzene-1-sulfonyl chloride structure
220239-64-5 structure
Product Name:2,4,6-trifluorobenzene-1-sulfonyl chloride
CAS No:220239-64-5
MF:C6H2ClF3O2S
MW:230.592090129852
MDL:MFCD01091015
CID:243867
PubChem ID:329766829
Update Time:2025-05-28

2,4,6-trifluorobenzene-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2,4,6-TRIFLUOROBENZENESULFONYL CHLORIDE
    • BUTTPARK 25\07-39
    • Benzenesulfonyl chloride, 2,4,6-trifluoro- (9CI)
    • 2,4,6-Trifluorophenylsulfonylchloride
    • Benzenesulfonylchloride, 2,4,6-trifluoro-
    • 2,4,6-trifluorobenzene-1-sulfonyl chloride
    • DTXSID00380319
    • AT11566
    • FT-0676271
    • XINCBNCLCIQIJM-UHFFFAOYSA-N
    • 2,4,6-Trifluorobenzenesulfonyl chloride, 97%
    • AKOS000150168
    • 2,4,6-Trifluorobenzenesulfonyl chloride, AldrichCPR
    • MFCD01091015
    • SY173397
    • PS-10810
    • 2,4,6-trifluorobenzenesulphonyl chloride
    • 220239-64-5
    • EN300-51242
    • 2,4,6-trifluorobenzene-1-sulfonylchloride
    • J-014429
    • SCHEMBL1500909
    • A815842
    • sulfuryl chloride; 1,3,5-trifluorobenzene
    • STL555252
    • BBL101456
    • MDL： MFCD01091015
    • Inchi： 1S/C6H2ClF3O2S/c7-13(11,12)6-4(9)1-3(8)2-5(6)10/h1-2H
    • InChI Key： XINCBNCLCIQIJM-UHFFFAOYSA-N
    • SMILES： ClS(C1C(=CC(=CC=1F)F)F)(=O)=O

Computed Properties

  • Exact Mass: 229.94200
  • Monoisotopic Mass: 229.942
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 264
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.5A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.637?g/mL?at 25?°C
  • Boiling Point: 222.1°Cat760mmHg
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: n20/D 1.508
  • PSA: 42.52000
  • LogP: 3.11220
  • Sensitiveness: Moisture Sensitive

2,4,6-trifluorobenzene-1-sulfonyl chloride Security Information

  • Symbol: GHS05
  • Signal Word：Danger
  • Hazard Statement： H314
  • Warning Statement： P280-P305+P351+P338-P310
  • Hazardous Material transportation number：UN 3265 8 / PGII
  • WGK Germany：3
  • Hazard Category Code： 14-34
  • Safety Instruction： 26-36/37/39-45
  • Hazardous Material Identification： C
  • HazardClass：8

2,4,6-trifluorobenzene-1-sulfonyl chloride Customs Data

  • HS CODE：2904909090
  • Customs Data：

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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2,4,6-trifluorobenzene-1-sulfonyl chloride Production Method

2,4,6-trifluorobenzene-1-sulfonyl chloride Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:220239-64-5)2,4,6-TRIFLUOROBENZENESULFONYL CHLORIDE
Order Number:sfd16899
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally

2,4,6-trifluorobenzene-1-sulfonyl chloride Related Literature

Additional information on 2,4,6-trifluorobenzene-1-sulfonyl chloride

Recent Advances in the Application of 2,4,6-Trifluorobenzene-1-sulfonyl Chloride (CAS: 220239-64-5) in Chemical Biology and Pharmaceutical Research

2,4,6-Trifluorobenzene-1-sulfonyl chloride (CAS: 220239-64-5) has emerged as a versatile building block in modern medicinal chemistry and chemical biology research. This fluorinated sulfonyl chloride derivative has gained significant attention due to its unique reactivity profile and potential applications in drug discovery. Recent studies have demonstrated its utility as a key intermediate in the synthesis of sulfonamide-based bioactive compounds, particularly in the development of enzyme inhibitors and targeted covalent modifiers.

Structural analyses reveal that the electron-withdrawing trifluoromethyl groups significantly enhance the electrophilicity of the sulfonyl chloride moiety, making it particularly reactive towards nucleophiles such as amines and alcohols. This property has been exploited in several recent synthetic methodologies for constructing sulfonamide linkages under mild conditions. A 2023 study published in the Journal of Medicinal Chemistry demonstrated the compound's effectiveness in generating high-throughput screening libraries through parallel synthesis approaches.

In pharmaceutical applications, researchers have utilized 220239-64-5 as a precursor for developing novel sulfonamide-based kinase inhibitors. The fluorinated aromatic ring system contributes to improved metabolic stability and membrane permeability compared to non-fluorinated analogs. Recent preclinical studies have shown promising results for compounds derived from this scaffold in targeting protein-protein interactions that are traditionally considered "undruggable."

The compound's utility extends to chemical biology applications, particularly in activity-based protein profiling (ABPP). Its ability to selectively modify active site nucleophiles in enzymes has enabled researchers to develop new probes for target identification and validation. A 2024 Nature Chemical Biology publication highlighted its use in mapping the reactivity of catalytic residues in cysteine proteases, providing insights into enzyme mechanisms and inhibitor design.

Recent synthetic innovations have focused on improving the handling and stability of 2,4,6-trifluorobenzene-1-sulfonyl chloride, which has historically presented challenges due to its moisture sensitivity. New stabilization formulations and storage protocols have extended its shelf life while maintaining reactivity, as documented in recent patents from major pharmaceutical companies.

Looking forward, the unique properties of this compound continue to inspire novel applications in drug discovery. Current research directions include its incorporation into PROTAC (proteolysis targeting chimera) designs and its use in developing covalent inhibitors for challenging targets in oncology and infectious diseases. The compound's versatility ensures it will remain a valuable tool in medicinal chemistry for years to come.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:220239-64-5)2,4,6-TRIFLUOROBENZENESULFONYL CHLORIDE
sfd16899
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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