Cas no 106854-80-2 (2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate)

2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate structure
106854-80-2 structure
Product Name:2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
CAS No:106854-80-2
MF:C11H8F6O4
MW:318.169244766235
CID:893838
PubChem ID:53411768
Update Time:2025-10-29

2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate Chemical and Physical Properties

Names and Identifiers

    • 2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
    • 2,2,2-Trifluoroethyl
    • TAK-475
    • 2,2,2-TRIFLUORO-1-THIOPHEN-3-YLMETHYL-ETHYLAMINE
    • 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoic Acid 2,2,2-Trifluoroethyl Ester
    • DB-260213
    • 106854-80-2
    • J-001663
    • starbld0005407
    • DTXSID80696506
    • AKOS030254731
    • Inchi: 1S/C11H8F6O4/c12-10(13,14)4-20-6-1-2-8(18)7(3-6)9(19)21-5-11(15,16)17/h1-3,18H,4-5H2
    • InChI Key: NOMAMPLRWRQRDS-UHFFFAOYSA-N
    • SMILES: FC(COC1=CC=C(C(C(=O)OCC(F)(F)F)=C1)O)(F)F

Computed Properties

  • Exact Mass: 318.03300
  • Monoisotopic Mass: 318.03267770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 354
  • 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: 4.2
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • Density: 1.476±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 284.1±40.0 oC (760 Torr),
  • Flash Point: 125.6±27.3 oC,
  • Solubility: Almost insoluble (0.038 g/l) (25 o C),
  • PSA: 55.76000
  • LogP: 3.05240

2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
T790240-100mg
2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
106854-80-2
100mg
$ 161.00 2023-09-05
TRC
T790240-250mg
2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
106854-80-2
250mg
$ 385.00 2023-09-05
TRC
T790240-500mg
2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
106854-80-2
500mg
$741.00 2023-05-17
TRC
T790240-1g
2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
106854-80-2
1g
$ 1055.00 2022-06-02
TRC
T790240-50mg
2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
106854-80-2
50mg
$ 121.00 2023-09-05
TRC
T790240-100 mg
2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
106854-80-2
100MG
130.00 2021-07-16
TRC
T790240-250 mg
2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
106854-80-2
250MG
315.00 2021-07-16
TRC
T790240-500 mg
2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
106854-80-2
500MG
605.00 2021-07-16
TRC
T790240-1 g
2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
106854-80-2
1g
1055.00 2021-07-16
TRC
T790240-1000mg
2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
106854-80-2
1g
$1286.00 2023-05-17

2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate Related Literature

Additional information on 2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate

2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate (CAS No. 106854-80-2): A Versatile Fluorinated Compound for Advanced Applications

2,2,2-Trifluoroethyl 2-hydroxy-5-(2,2,2-trifluoroethoxy)benzoate (CAS No. 106854-80-2) is a fluorinated organic compound that has gained significant attention in pharmaceutical and material science research. This unique molecule combines a benzoate ester structure with two trifluoroethyl groups, offering exceptional chemical stability and lipophilicity. The presence of multiple fluorine atoms makes this compound particularly interesting for applications requiring enhanced metabolic stability and membrane permeability.

In recent years, the demand for fluorinated pharmaceutical intermediates has surged, driven by the growing need for more effective and stable drug candidates. Researchers have found that compounds like 2,2,2-trifluoroethyl 2-hydroxy-5-(2,2,2-trifluoroethoxy)benzoate can significantly improve drug bioavailability while maintaining excellent safety profiles. The compound's structural features make it particularly valuable in the development of next-generation therapeutic agents, especially in areas such as CNS drugs and anti-inflammatory medications.

The synthesis of CAS 106854-80-2 typically involves multi-step organic reactions starting from salicylic acid derivatives. Modern synthetic approaches focus on optimizing yield and purity while minimizing environmental impact, aligning with the pharmaceutical industry's push toward green chemistry principles. Advanced purification techniques such as preparative HPLC and recrystallization ensure the final product meets the stringent quality standards required for pharmaceutical applications.

Beyond pharmaceuticals, 2,2,2-trifluoroethyl 5-(2,2,2-trifluoroethoxy)-2-hydroxybenzoate has shown promise in material science applications. Its unique combination of aromatic and fluorinated components makes it an interesting candidate for developing specialty polymers with enhanced thermal stability and chemical resistance. Researchers are exploring its potential in creating advanced coatings for electronic components and optical materials with improved performance characteristics.

The compound's physicochemical properties have been extensively studied. It typically appears as a white to off-white crystalline powder with excellent solubility in common organic solvents but limited water solubility. These characteristics make it particularly suitable for formulation development in drug delivery systems. The presence of both phenolic hydroxyl and ester functional groups provides multiple sites for further chemical modification, allowing for the creation of diverse derivatives with tailored properties.

In analytical chemistry, 2,2,2-trifluoroethyl 2-hydroxy-5-(2,2,2-trifluoroethoxy)benzoate serves as an important reference standard and building block. Its well-defined structure and purity make it valuable for method development in HPLC analysis and mass spectrometry studies. The compound's distinct fragmentation pattern in mass spectrometers aids in the identification and quantification of related substances in complex matrices.

Market trends indicate growing interest in fluorinated building blocks like CAS 106854-80-2, particularly from contract research organizations and pharmaceutical companies engaged in drug discovery. The global market for such specialized intermediates is projected to expand significantly, driven by increased R&D spending and the demand for more sophisticated therapeutic agents. Suppliers are responding by improving production scalability and developing more efficient synthetic routes to meet this rising demand.

Quality control of 2,2,2-trifluoroethyl 5-(2,2,2-trifluoroethoxy)-2-hydroxybenzoate follows strict protocols, with comprehensive characterization including NMR spectroscopy, elemental analysis, and chromatographic purity assessment. These rigorous standards ensure batch-to-batch consistency, which is crucial for research reproducibility and regulatory compliance in pharmaceutical applications.

Recent scientific literature highlights novel applications of this compound in medicinal chemistry, particularly as a scaffold for developing protease inhibitors and modulators of biological targets. Its ability to influence pharmacokinetic parameters makes it valuable in structure-activity relationship studies. Researchers are particularly interested in how the trifluoroethoxy moiety affects molecular interactions with biological targets compared to traditional alkoxy groups.

Storage and handling of 2,2,2-trifluoroethyl 2-hydroxy-5-(2,2,2-trifluoroethoxy)benzoate require standard laboratory precautions. The compound is typically stable under recommended storage conditions (room temperature in sealed containers), though sensitivity to moisture and light may vary depending on specific formulations. Proper material safety data sheets should always be consulted before working with this chemical.

Future research directions for CAS 106854-80-2 include exploring its potential in targeted drug delivery systems and as a component in smart materials. The compound's unique properties may enable development of stimuli-responsive materials that change characteristics in response to specific environmental triggers. Such applications could revolutionize areas ranging from controlled drug release to advanced sensor technologies.

The intellectual property landscape surrounding 2,2,2-trifluoroethyl 5-(2,2,2-trifluoroethoxy)-2-hydroxybenzoate continues to evolve, with new patents emerging that cover innovative synthetic methods and applications. Companies investing in this space are focusing on developing proprietary processes that offer cost and efficiency advantages while maintaining high product quality.

Environmental considerations for fluorinated compounds like 106854-80-2 have become increasingly important. Researchers are investigating the environmental fate and biodegradation pathways of such molecules to ensure sustainable use. Current studies suggest that proper waste management and controlled use in industrial settings can effectively mitigate potential environmental impacts.

For researchers considering 2,2,2-trifluoroethyl 2-hydroxy-5-(2,2,2-trifluoroethoxy)benzoate for their projects, it's essential to consult recent literature and supplier specifications to ensure the material meets their specific requirements. The compound's versatility makes it suitable for diverse applications, but optimal results depend on proper handling and application-specific optimization.

Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.