Cas no 426-59-5 (3-(Trifluoromethylsulphonyl)aniline)

3-(Trifluoromethylsulphonyl)aniline is a specialized aromatic amine featuring a trifluoromethylsulfonyl (–SO?CF?) substituent, which imparts unique electronic and steric properties. This compound is valued in synthetic chemistry for its role as a versatile intermediate in the preparation of pharmaceuticals, agrochemicals, and advanced materials. The strong electron-withdrawing nature of the trifluoromethylsulfonyl group enhances reactivity in electrophilic substitution and coupling reactions, enabling precise functionalization. Its stability under various reaction conditions makes it suitable for multi-step syntheses. Additionally, the fluorine-rich moiety contributes to improved lipophilicity and metabolic stability in derived compounds. Careful handling is advised due to potential sensitivity to moisture and reactive conditions.
3-(Trifluoromethylsulphonyl)aniline structure
426-59-5 structure
Product Name:3-(Trifluoromethylsulphonyl)aniline
CAS No:426-59-5
MF:C7H6F3NO2S
MW:225.188251018524
MDL:MFCD00792413
CID:328250
PubChem ID:2735943
Update Time:2025-06-10

3-(Trifluoromethylsulphonyl)aniline Chemical and Physical Properties

Names and Identifiers

    • Benzenamine,3-[(trifluoromethyl)sulfonyl]-
    • (3-AMINOPHENYL)TRIFLUOROMETHYL SULFONE
    • 3-(TRIFLUOROMETHYLSULFONYL)ANILINE
    • 3-AMINOPHENYL TRIFLUOROMETHYL SULFONE
    • {3-[(trifluoromethyl)sulfonyl]phenyl}amine
    • 3-(trifluoromethanesulphonyl)aniline
    • 3-Aminophenyl trifluoromethyl sulphone
    • 3-Trifluormethansulfonyl-anilin
    • 3-trifluoromethanesulfonylaniline
    • 3-Trifluoromethylsulfonyl aniline
    • 3-(Trifluoromethylsulphonyl)aniline
    • EN300-1723231
    • 3-[(Trifluoromethyl)sulfonyl]aniline
    • PS-7776
    • SCHEMBL686828
    • DTXSID50371035
    • CS-0130937
    • AKOS017269850
    • 3-((trifluoromethyl)sulfonyl)aniline
    • BP-13123
    • 3-(Trifluoromethylsulfonyl)benzenamine
    • A1-06770
    • MFCD00792413
    • 3-trifluoromethanesulfonyl-aniline
    • 3-(trifluoromethanesulfonyl)aniline
    • 3-[(Trifluoromethyl)sulphonyl]aniline
    • A825977
    • 3-Trifluoromethanesulfonyl-phenylamine
    • Benzamine, 3-[(trifluoromethyl)sulfonyl]-
    • W16491
    • FT-0615054
    • 3-[(trifluoromethyl)sulfonyl]phenylamine
    • 426-59-5
    • aniline, 3-trifluoromethylsulphonyl-
    • DB-050956
    • MDL: MFCD00792413
    • Inchi: 1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-2-5(11)4-6/h1-4H,11H2
    • InChI Key: LZYNHEOVZMLXIO-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(C1C=CC=C(C=1)N)(=O)=O

Computed Properties

  • Exact Mass: 225.00700
  • Monoisotopic Mass: 225.00713409g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 68.5?2

Experimental Properties

  • Color/Form: Not available
  • PSA: 68.54000
  • LogP: 3.22430
  • Solubility: Not available

3-(Trifluoromethylsulphonyl)aniline Security Information

3-(Trifluoromethylsulphonyl)aniline Customs Data

  • HS CODE:2921420090
  • Customs Data:

    China Customs Code:

    2921420090

    Overview:

    2921420090 Other aniline derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-(Trifluoromethylsulphonyl)aniline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
007801-250mg
3-Aminophenyl trifluoromethyl sulfone
426-59-5 95%+
250mg
£30.00 2022-03-01
Fluorochem
007801-1g
3-Aminophenyl trifluoromethyl sulfone
426-59-5 95%+
1g
£90.00 2022-03-01
Fluorochem
007801-5g
3-Aminophenyl trifluoromethyl sulfone
426-59-5 95%+
5g
£430.00 2022-03-01
Apollo Scientific
PC4871-250mg
3-[(Trifluoromethyl)sulphonyl]aniline
426-59-5 97%
250mg
£30.00 2024-07-28
Apollo Scientific
PC4871-1g
3-[(Trifluoromethyl)sulphonyl]aniline
426-59-5 97%
1g
£90.00 2024-07-28
Apollo Scientific
PC4871-5g
3-[(Trifluoromethyl)sulphonyl]aniline
426-59-5 97%
5g
£430.00 2024-07-28
ChemScence
CS-0130937-250mg
3-((Trifluoromethyl)sulfonyl)aniline
426-59-5 97.59%
250mg
$35.0 2022-04-27
ChemScence
CS-0130937-1g
3-((Trifluoromethyl)sulfonyl)aniline
426-59-5 97.59%
1g
$88.0 2022-04-27
ChemScence
CS-0130937-5g
3-((Trifluoromethyl)sulfonyl)aniline
426-59-5 97.59%
5g
$427.0 2022-04-27
Chemenu
CM118507-1g
3-(Trifluoromethylsulfonyl)aniline
426-59-5 95%
1g
$123 2023-01-09

3-(Trifluoromethylsulphonyl)aniline Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:426-59-5)3-(Trifluoromethylsulphonyl)aniline
Order Number:A825977
Stock Status:in Stock
Quantity:10g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:10
Price ($):382.0

Additional information on 3-(Trifluoromethylsulphonyl)aniline

Professional Introduction to 3-(Trifluoromethylsulphonyl)aniline (CAS No. 426-59-5)

3-(Trifluoromethylsulphonyl)aniline, identified by its CAS number 426-59-5, is a significant compound in the field of pharmaceutical and chemical research. This organofluorine compound features a trifluoromethylsulphonyl group attached to an aniline backbone, making it a versatile intermediate in the synthesis of various biologically active molecules. The unique electronic properties of the trifluoromethylsulphonyl group contribute to the compound's reactivity and utility in medicinal chemistry.

The trifluoromethylsulphonyl group is known for its ability to enhance metabolic stability and binding affinity in drug candidates. This characteristic has made 3-(Trifluoromethylsulphonyl)aniline a valuable building block in the development of novel therapeutic agents. Recent studies have highlighted its role in the synthesis of kinase inhibitors, particularly those targeting oncogenic pathways. The presence of the fluorine atoms in the trifluoromethyl group influences the electronic distribution of the molecule, leading to improved pharmacokinetic profiles.

In addition to its applications in oncology, 3-(Trifluoromethylsulphonyl)aniline has been explored in the development of antimicrobial agents. The fluorinated sulphonyl moiety contributes to the compound's ability to disrupt bacterial cell membranes, making it an attractive candidate for combating resistant strains. Research published in peer-reviewed journals has demonstrated its efficacy against Gram-negative bacteria, which pose significant challenges in clinical settings.

The synthesis of 3-(Trifluoromethylsulphonyl)aniline typically involves nucleophilic aromatic substitution reactions, where aniline reacts with trifluoromethanesulfonyl chloride under controlled conditions. The reaction is often catalyzed by Lewis acids such as aluminum chloride or iron(III) chloride, which facilitate the formation of the desired sulphonylated product. Advances in synthetic methodologies have improved the yield and purity of this compound, making it more accessible for industrial applications.

The pharmaceutical industry has shown considerable interest in 3-(Trifluoromethylsulphonyl)aniline due to its potential as a scaffold for drug discovery. Its structural flexibility allows for modifications at various positions, enabling the creation of libraries of derivatives with tailored biological activities. High-throughput screening (HTS) techniques have been employed to identify lead compounds derived from this scaffold, which exhibit promising preclinical results.

Electrophysiological studies have further elucidated the role of 3-(Trifluoromethylsulphonyl)aniline in modulating ion channels and receptors. Its ability to interact with specific protein targets has been linked to potential applications in treating neurological disorders. The compound's interaction with G-protein coupled receptors (GPCRs) has been particularly studied, as these receptors are involved in a wide range of physiological processes.

The environmental impact of 3-(Trifluoromethylsulmonyl)Aniline is also a subject of ongoing research. While its fluorinated nature suggests potential persistence in ecosystems, studies have shown that proper handling and disposal protocols can mitigate environmental risks. Regulatory agencies continue to monitor its use and recommend best practices for its application in industrial and laboratory settings.

In conclusion, 3-(Trifluoromethylsulmonyl)Aniline(CAS No. 426-59-5) remains a cornerstone in modern chemical and pharmaceutical research. Its unique structural features and biological activities make it indispensable for developing innovative therapeutics. As research progresses, new applications and derivatives are likely to emerge, further solidifying its importance in the scientific community.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:426-59-5)3-(Trifluoromethylsulphonyl)aniline
A825977
Purity:99%
Quantity:10g
Price ($):382.0
Email