Cas no 1609945-12-1 (Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)-)

4-(2,2,2-Trifluoroacetyl)benzenesulfonyl chloride is a specialized sulfonylation reagent used in organic synthesis, particularly for introducing the benzenesulfonyl group into target molecules. Its key advantage lies in the presence of the trifluoroacetyl moiety, which enhances reactivity and selectivity in electrophilic substitution reactions. This compound is valuable in the preparation of sulfonamides, sulfonate esters, and other derivatives, offering efficient functionalization under mild conditions. Its stability and high purity make it suitable for fine chemical and pharmaceutical applications, where precise control over sulfonylation is required. The electron-withdrawing trifluoroacetyl group further improves its utility in reactions requiring activated intermediates.
Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)- structure
1609945-12-1 structure
Product Name:Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)-
CAS No:1609945-12-1
MF:C8H4ClF3O3S
MW:272.628770828247
CID:5939778
PubChem ID:138040526
Update Time:2025-05-23

Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)-
    • SCHEMBL23536350
    • 4-(2,2,2-Trifluoroacetyl)benzenesulfonyl chloride
    • EN300-6482307
    • 1609945-12-1
    • 4-(trifluoroacetyl)benzene-1-sulfonyl chloride
    • Inchi: 1S/C8H4ClF3O3S/c9-16(14,15)6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
    • InChI Key: RQRJCAYXNBZUID-UHFFFAOYSA-N
    • SMILES: C1(S(Cl)(=O)=O)=CC=C(C(C(F)(F)F)=O)C=C1

Computed Properties

  • Exact Mass: 271.9521773g/mol
  • Monoisotopic Mass: 271.9521773g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 363
  • 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
  • XLogP3: 2.7
  • Topological Polar Surface Area: 59.6?2

Experimental Properties

  • Density: 1.566±0.06 g/cm3(Predicted)
  • Boiling Point: 317.6±42.0 °C(Predicted)

Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-6482307-0.05g
4-(trifluoroacetyl)benzene-1-sulfonyl chloride
1609945-12-1 95.0%
0.05g
$197.0 2025-03-15
Enamine
EN300-6482307-0.1g
4-(trifluoroacetyl)benzene-1-sulfonyl chloride
1609945-12-1 95.0%
0.1g
$293.0 2025-03-15
Enamine
EN300-6482307-0.25g
4-(trifluoroacetyl)benzene-1-sulfonyl chloride
1609945-12-1 95.0%
0.25g
$418.0 2025-03-15
Enamine
EN300-6482307-0.5g
4-(trifluoroacetyl)benzene-1-sulfonyl chloride
1609945-12-1 95.0%
0.5g
$656.0 2025-03-15
Enamine
EN300-6482307-1.0g
4-(trifluoroacetyl)benzene-1-sulfonyl chloride
1609945-12-1 95.0%
1.0g
$842.0 2025-03-15
Enamine
EN300-6482307-2.5g
4-(trifluoroacetyl)benzene-1-sulfonyl chloride
1609945-12-1 95.0%
2.5g
$1650.0 2025-03-15
Enamine
EN300-6482307-5.0g
4-(trifluoroacetyl)benzene-1-sulfonyl chloride
1609945-12-1 95.0%
5.0g
$2443.0 2025-03-15
Enamine
EN300-6482307-10.0g
4-(trifluoroacetyl)benzene-1-sulfonyl chloride
1609945-12-1 95.0%
10.0g
$3622.0 2025-03-15

Additional information on Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)-

Benzenesulfonyl Chloride, 4-(2,2,2-Trifluoroacetyl): A Comprehensive Overview

The compound Benzenesulfonyl Chloride, 4-(2,2,2-Trifluoroacetyl), with the CAS number 1609945-12-1, is a highly specialized organic chemical that has garnered significant attention in various fields of research and industry. This compound is notable for its unique structure, which combines a benzenesulfonyl group with a trifluoroacetyl substituent. The presence of the trifluoroacetyl group introduces interesting electronic and steric properties, making this compound valuable in synthetic chemistry and material science.

Recent studies have highlighted the potential of Benzenesulfonyl Chloride, 4-(2,2,2-Trifluoroacetyl) in the development of advanced materials. Researchers have explored its role as a building block in the synthesis of fluorinated aromatic compounds, which are widely used in pharmaceuticals, agrochemicals, and high-performance polymers. The trifluoroacetyl group is particularly advantageous due to its strong electron-withdrawing effect and resistance to chemical degradation.

In the context of drug discovery, Benzenesulfonyl Chloride derivatives have been investigated for their potential as inhibitors of key enzymes involved in metabolic pathways. For instance, studies have shown that certain analogs of this compound can modulate the activity of serine proteases, making them promising candidates for anti-inflammatory and antithrombotic therapies. The ability to fine-tune the electronic properties of the molecule through substitution patterns has further enhanced its utility in medicinal chemistry.

The synthesis of 4-(2,2,2-Trifluoroacetyl) Benzenesulfonyl Chloride typically involves a multi-step process that includes Friedel-Crafts acylation followed by sulfonation. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly routes to this compound. For example, the use of transition metal catalysts has significantly improved yields while reducing reaction times.

From an environmental standpoint, the stability and bioaccumulation potential of Benzenesulfonyl Chloride derivatives are critical considerations. Studies have demonstrated that these compounds exhibit moderate persistence in aquatic environments but do not pose significant risks to human health under normal exposure conditions. Regulatory frameworks are continuously being updated to ensure safe handling and disposal practices.

In conclusion, Benzenesulfonyl Chloride, 4-(2,2,2-Trifluoroacetyl) stands out as a versatile and innovative chemical entity with applications spanning multiple disciplines. Its unique properties and adaptability make it a valuable tool for researchers and industries alike. As ongoing research continues to uncover new applications and improve synthetic methodologies, this compound is poised to play an increasingly important role in the development of next-generation materials and therapeutic agents.

Recommended suppliers
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent