Cas no 933674-85-2 (1-Chloro-3-trifluoromethanesulfonyl-benzene)

1-Chloro-3-trifluoromethanesulfonyl-benzene is a versatile organosulfur compound featuring both a chloro substituent and a trifluoromethanesulfonyl (triflyl) group on a benzene ring. Its key advantages include high reactivity as an electrophile in aromatic substitution reactions, making it valuable in pharmaceutical and agrochemical synthesis. The triflyl group enhances electron-withdrawing properties, facilitating nucleophilic displacement reactions, while the chloro group offers additional functionalization potential. This compound is particularly useful in cross-coupling reactions and as a precursor for advanced intermediates. Its stability under various reaction conditions and compatibility with organometallic reagents further contribute to its utility in fine chemical and materials science applications.
1-Chloro-3-trifluoromethanesulfonyl-benzene structure
933674-85-2 structure
Product Name:1-Chloro-3-trifluoromethanesulfonyl-benzene
CAS No:933674-85-2
MF:C7H4ClF3O2S
MW:244.618670463562
MDL:MFCD00578900
CID:3157385
PubChem ID:40428720
Update Time:2025-10-23

1-Chloro-3-trifluoromethanesulfonyl-benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Chloro-3-trifluoromethanesulfonyl-benzene
    • SCHEMBL21824183
    • MFCD00578900
    • 3-(trifluoromethylsulfonyl)chlorobenzene
    • YPXIWAYTZKFRIU-UHFFFAOYSA-N
    • 3-(Trifluoromethylsulfonyl)chlorobenzene; 98%
    • 933674-85-2
    • 1-chloro-3-(trifluoromethylsulfonyl)benzene
    • MDL: MFCD00578900
    • Inchi: 1S/C7H4ClF3O2S/c8-5-2-1-3-6(4-5)14(12,13)7(9,10)11/h1-4H
    • InChI Key: YPXIWAYTZKFRIU-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)S(C(F)(F)F)(=O)=O

Computed Properties

  • Exact Mass: 243.9572627Da
  • Monoisotopic Mass: 243.9572627Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 293
  • 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: 3.2
  • Topological Polar Surface Area: 42.5?2

1-Chloro-3-trifluoromethanesulfonyl-benzene Security Information

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1-Chloro-3-trifluoromethanesulfonyl-benzene Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:933674-85-2)1-Chloro-3-trifluoromethanesulfonyl-benzene
Order Number:A1193859
Stock Status:in Stock
Quantity:1g/5g/10g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:22
Price ($):166.0/456.0/699.0

Additional information on 1-Chloro-3-trifluoromethanesulfonyl-benzene

1-Chloro-3-Trifluoromethanesulfonyl-Benzene: A Comprehensive Overview

1-Chloro-3-trifluoromethanesulfonyl-benzene, also known by its CAS number 933674-85-2, is a highly specialized organic compound with significant applications in various fields of chemistry. This compound is characterized by its unique structure, which combines a benzene ring with a trifluoromethanesulfonyl group and a chlorine atom. The trifluoromethanesulfonyl group, often abbreviated as CF3SO2-, is a strong electron-withdrawing group, which imparts distinctive electronic properties to the molecule. The presence of the chlorine atom further enhances the compound's reactivity and makes it a valuable intermediate in synthetic chemistry.

The synthesis of 1-chloro-3-trifluoromethanesulfonyl-benzene typically involves multi-step processes, often starting from benzene derivatives. One common approach is the electrophilic substitution reaction, where the benzene ring undergoes substitution with the trifluoromethanesulfonyl group and chlorine atom in specific positions. Recent advancements in catalytic systems and reaction conditions have enabled higher yields and improved purity of this compound. Researchers have also explored alternative synthetic pathways, such as coupling reactions and metal-mediated transformations, to optimize the production process.

1-Chloro-3-trifluoromethanesulfonyl-benzene has garnered significant attention due to its versatile applications in materials science and pharmaceuticals. Its strong electron-withdrawing groups make it an excellent candidate for use in organic electronics, particularly in the development of semiconducting materials. Recent studies have demonstrated its potential as a building block for organic light-emitting diodes (OLEDs) and field-effect transistors (FETs), where its electronic properties contribute to enhanced device performance.

In the pharmaceutical industry, this compound serves as an intermediate in the synthesis of bioactive molecules. Its ability to undergo various functional group transformations makes it highly valuable in drug discovery programs targeting complex biological pathways. For instance, researchers have utilized it in the construction of kinase inhibitors and other therapeutic agents with high specificity.

The environmental impact of 1-chloro-3-trifluoromethanesulfonyl-benzene has also been a topic of recent research. Studies have shown that while it exhibits high stability under normal conditions, it can undergo biodegradation under specific environmental conditions. Efforts are being made to develop sustainable methods for its production and disposal to minimize ecological footprint.

In conclusion, 1-chloro-3-trifluoromethanesulfonyl-benzene (CAS No. 933674-85-2) is a versatile compound with wide-ranging applications across multiple disciplines. Its unique chemical properties, combined with advancements in synthetic methodologies and application development, position it as a key player in modern chemistry research. As ongoing studies continue to uncover new potentials for this compound, its role in shaping future technologies and therapeutic solutions is expected to grow significantly.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:933674-85-2)1-Chloro-3-trifluoromethanesulfonyl-benzene
A1193859
Purity:99%/99%/99%
Quantity:1g/5g/10g
Price ($):166.0/456.0/699.0
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