Cas no 23586-53-0 (thallium(III) trifluoroacetate)

thallium(III) trifluoroacetate structure
23586-53-0 structure
Product Name:thallium(III) trifluoroacetate
CAS No:23586-53-0
MF:C6F9O6Tl
MW:543.429534912109
MDL:MFCD00000414
CID:88454
PubChem ID:87577118
Update Time:2025-07-24

thallium(III) trifluoroacetate Chemical and Physical Properties

Names and Identifiers

    • thallium(III) trifluoroacetate
    • ThalliuM(III) trifluoroacetate, tech. gr.
    • THALLIC TRIFLUOROACETATE
    • Thallic trifluoroacetate, tech.
    • THALLIC TRIFLUOROACETATE,TECH
    • THALLIUM TRIFLUOROACETATE
    • TRIFLUOROACETIC ACID THALLICSALT
    • Trifluoroacetic Acid Thallium(III) Salt
    • TTFA
    • Tris(trifluoroacetato)thallium
    • PSHNNUKOUQCMSG-UHFFFAOYSA-K
    • 2,2,2-Trifluoroacetic acid, thallium(3+) salt (3:1)
    • DTXSID9066912
    • thallium tris(trifluoroacetate)
    • EINECS 245-761-1
    • thallium (III) trifluoroacetate
    • T1351
    • thallium(3+);2, 2, 2-trifluoroacetate
    • 23586-53-0
    • AKOS015852671
    • thallium(III)trifluoroacetate
    • D76369
    • Acetic acid, trifluoro-, thallium(3+) salt
    • Acetic acid, 2,2,2-trifluoro-, thallium(3+) salt (3:1)
    • Acetic acid, trifluoro, thallium(3+) salt
    • Acetic acid, 2,2,2trifluoro, thallium(3+) salt (3:1)
    • DTXCID7036901
    • MDL: MFCD00000414
    • Inchi: 1S/3C2HF3O2.Tl/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
    • InChI Key: PSHNNUKOUQCMSG-UHFFFAOYSA-K
    • SMILES: [Tl+3].FC(C(=O)[O-])(F)F.FC(C(=O)[O-])(F)F.FC(C(=O)[O-])(F)F

Computed Properties

  • Exact Mass: 453.85900
  • Monoisotopic Mass: 543.93
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 77.9
  • Covalently-Bonded Unit Count: 4
  • 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: 120A^2

Experimental Properties

  • Color/Form: White solid. Heat and moisture can make the solid brown or sticky
  • Melting Point: 213?°C (dec.) (lit.)
  • Boiling Point: 72.2°Cat760mmHg
  • Flash Point: °C
  • Water Partition Coefficient: Soluble in water (decomposes).
  • PSA: 78.90000
  • LogP: 1.66860
  • Sensitiveness: Hygroscopic
  • Solubility: Not determined

thallium(III) trifluoroacetate Security Information

thallium(III) trifluoroacetate Customs Data

  • HS CODE:29152900

thallium(III) trifluoroacetate Pricemore >>

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thallium(III) trifluoroacetate Related Literature

Additional information on thallium(III) trifluoroacetate

Thallium(III) Trifluoroacetate (CAS No. 23586-53-0): A Comprehensive Overview in Modern Chemical Biology and Medicinal Chemistry

Thallium(III) Trifluoroacetate, with the chemical formula Tl(OTFA), is a specialized organometallic compound characterized by its unique structural and electronic properties. This compound, identified by its CAS number CAS No. 23586-53-0, has garnered significant attention in the fields of chemical biology and medicinal chemistry due to its versatile applications and intriguing reactivity. The trifluoroacetate anion imparts distinct chemical behavior, making it a valuable reagent in synthetic chemistry and a potential candidate for therapeutic development.

The compound’s significance stems from its ability to participate in various coordination chemistry reactions, where it serves as an effective Lewis acid catalyst. This property has been leveraged in the synthesis of complex organic molecules, including pharmaceutical intermediates and biomimetic systems. The electron-withdrawing nature of the trifluoroacetate group enhances the electrophilicity of the thallium center, facilitating its use in cross-coupling reactions and other transformation processes essential for drug discovery.

In recent years, Thallium(III) Trifluoroacetate has been explored for its potential in medicinal chemistry applications. Its unique coordination chemistry profile allows it to interact with biological targets in novel ways, which has sparked interest in developing new therapeutic agents. For instance, studies have indicated that Tl(OTFA) can modulate enzyme activity and interfere with pathogenic processes, suggesting its utility in combating certain diseases. The compound’s ability to form stable complexes with biomolecules has also been exploited in the design of metal-based drugs that exhibit enhanced stability and bioavailability.

The use of CAS No. 23586-53-0 in research has been further advanced by its compatibility with modern spectroscopic techniques, such as NMR and mass spectrometry. These methods provide critical insights into the compound’s structure-function relationships, enabling researchers to fine-tune its properties for specific applications. Additionally, computational studies have played a pivotal role in understanding the electronic structure of Tl(OTFA), which has informed the development of more efficient synthetic routes and improved reaction conditions.

One of the most compelling aspects of Thallium(III) Trifluoroacetate is its role in catalytic systems that facilitate asymmetric synthesis. The compound’s ability to induce enantioselectivity has been demonstrated in various transformations, making it a valuable tool for producing chiral molecules that are crucial for pharmaceuticals. This capability aligns with the growing demand for enantiomerically pure compounds in drug development, where even minor impurities can significantly impact efficacy and safety.

The application of CAS No. 23586-53-0 extends beyond synthetic chemistry into materials science. Its unique electronic properties have been investigated for use in optoelectronic devices and advanced materials. Researchers have explored its potential as a component in conductive polymers and metal-organic frameworks (MOFs), where it can contribute to improved performance characteristics such as higher conductivity or enhanced stability under extreme conditions.

In conclusion, Thallium(III) Trifluoroacetate represents a multifaceted compound with broad utility across multiple scientific disciplines. Its distinctive chemical properties make it an indispensable tool for researchers engaged in synthetic organic chemistry, medicinal drug design, and materials science. As our understanding of its applications continues to evolve, so too will its role in advancing scientific discovery and technological innovation.

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