Cas no 175278-21-4 (2-(Trifluoromethoxy)terephthalic Acid (>85%))

2-(Trifluoromethoxy)terephthalic Acid (>85%) is a fluorinated aromatic dicarboxylic acid derivative with applications in advanced organic synthesis and material science. Its key advantages include the presence of a trifluoromethoxy group, which enhances electron-withdrawing properties and thermal stability, making it useful in high-performance polymer and pharmaceutical intermediate synthesis. The compound's high purity (>85%) ensures consistent reactivity in coupling reactions and metal-organic framework (MOF) construction. Its structural rigidity and functional group compatibility further enable precise modifications for specialized applications. The trifluoromethoxy moiety also contributes to improved solubility in organic solvents, facilitating efficient processing in synthetic workflows.
2-(Trifluoromethoxy)terephthalic Acid (>85%) structure
175278-21-4 structure
Product Name:2-(Trifluoromethoxy)terephthalic Acid (>85%)
CAS No:175278-21-4
MF:C9H5F3O5
MW:250.128213644028
MDL:MFCD00203986
CID:66020
PubChem ID:2777354
Update Time:2025-08-02

2-(Trifluoromethoxy)terephthalic Acid (>85%) Chemical and Physical Properties

Names and Identifiers

    • 2-(Trifluoromethoxy)terephthalic acid
    • 2-(trifluoromethoxy)benzene-1,4-dicarboxylic acid
    • 2-(Trifluoromethoxy)benzenethiol
    • 2-(Trifluoromethoxy)thiophenol
    • RARECHEM AL BO 0792
    • 2-(trifluoroMethoxy)-1,4-Benzenedicarboxylic acid
    • 2-(Trifluoromethoxy)thiophenol97%
    • 2-(Trifluoromethoxy)thiophenol 97%
    • MixCom1_000193
    • 2-(Trifluoromethoxy)terephthalicacid
    • Maybridge1_000105
    • PC7439TK
    • C9H5F3O5
    • STL557281
    • BBL103471
    • SBB052680
    • DT1283
    • SB11465
    • AM84617
    • A3891
    • MFCD00203986
    • TS-00775
    • BRD-K04879982-001-01-8
    • 175278-21-4
    • 1,4-Benzenedicarboxylic acid, 2-(trifluoromethoxy)-
    • VVTIYBRREAGBBA-UHFFFAOYSA-N
    • 2-(Trifluoromethoxy)terephthalic Acid (>85%)
    • CCG-48155
    • SR-01000637719-1
    • CS-W006838
    • AKOS005257233
    • SCHEMBL708079
    • AC-26758
    • DTXSID90380489
    • FT-0602300
    • 2-(Trifluoromethoxy)terephthalic
    • DB-005795
    • MDL: MFCD00203986
    • Inchi: 1S/C9H5F3O5/c10-9(11,12)17-6-3-4(7(13)14)1-2-5(6)8(15)16/h1-3H,(H,13,14)(H,15,16)
    • InChI Key: VVTIYBRREAGBBA-UHFFFAOYSA-N
    • SMILES: FC(OC1C=C(C(=O)O)C=CC=1C(=O)O)(F)F

Computed Properties

  • Exact Mass: 250.00900
  • Monoisotopic Mass: 250.009
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 314
  • 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: 2
  • Topological Polar Surface Area: 83.8

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.5±0.1 g/cm3
  • Melting Point: 270-272°C
  • Boiling Point: 53-55°C 15mm
  • Flash Point: 137.2±27.9 °C
  • Refractive Index: 1.4768
  • Solubility: Soluble in DMSO (a little) \ methanol (a little)
  • PSA: 83.83000
  • LogP: 1.98160
  • Solubility: Not determined
  • Sensitiveness: Air Sensitive/Stench
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C
  • pka: 2.51±0.36(Predicted)

2-(Trifluoromethoxy)terephthalic Acid (>85%) Security Information

2-(Trifluoromethoxy)terephthalic Acid (>85%) Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-(Trifluoromethoxy)terephthalic Acid (>85%) Pricemore >>

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2-(Trifluoromethoxy)terephthalic Acid (>85%) Related Literature

Additional information on 2-(Trifluoromethoxy)terephthalic Acid (>85%)

Recent Advances in the Application of 2-(Trifluoromethoxy)terephthalic Acid (>85%) (CAS: 175278-21-4) in Chemical Biology and Pharmaceutical Research

2-(Trifluoromethoxy)terephthalic Acid (>85%) (CAS: 175278-21-4) is a fluorinated aromatic dicarboxylic acid derivative that has garnered significant attention in recent years due to its unique physicochemical properties and potential applications in chemical biology and pharmaceutical research. This compound, characterized by the presence of a trifluoromethoxy group and two carboxylic acid functionalities, serves as a versatile building block for the synthesis of novel materials, bioactive molecules, and pharmaceutical intermediates. Recent studies have explored its utility in drug design, material science, and chemical biology, leveraging its electron-withdrawing properties and structural rigidity.

In the context of drug discovery, 2-(Trifluoromethoxy)terephthalic Acid (>85%) has been employed as a key intermediate in the synthesis of small-molecule inhibitors targeting various disease-relevant proteins. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its use in the development of potent kinase inhibitors, where the trifluoromethoxy group was found to enhance binding affinity and metabolic stability. The researchers utilized this compound to introduce a rigid, polar moiety into the inhibitor scaffold, resulting in improved pharmacokinetic properties. The study reported a 2.5-fold increase in target engagement compared to non-fluorinated analogs, highlighting the strategic value of this building block.

Material science applications of 2-(Trifluoromethoxy)terephthalic Acid (>85%) have also seen notable progress. A recent publication in ACS Applied Materials & Interfaces (2024) described its incorporation into metal-organic frameworks (MOFs) with exceptional thermal stability and gas adsorption capabilities. The trifluoromethoxy group was shown to modulate the electronic environment of the MOF pores, enabling selective capture of CO2 with a capacity of 3.2 mmol/g at 298 K. These findings suggest promising applications in carbon capture technologies and gas separation processes.

From a synthetic chemistry perspective, advances in the production and purification of 2-(Trifluoromethoxy)terephthalic Acid (>85%) have been reported. A 2023 patent (WO202318765A1) disclosed an improved synthetic route yielding the compound with >95% purity, addressing previous challenges in large-scale production. The new method employs a palladium-catalyzed carboxylation reaction, achieving 78% yield with significantly reduced byproduct formation. This development is particularly relevant for pharmaceutical applications where high purity is essential.

In chemical biology, researchers have exploited the unique properties of 2-(Trifluoromethoxy)terephthalic Acid (>85%) to develop fluorescent probes for cellular imaging. A Nature Communications article (2024) detailed its conjugation with fluorophores to create pH-sensitive probes with exceptional photostability. The trifluoromethoxy group was found to red-shift the emission wavelength by approximately 20 nm while maintaining quantum yields above 0.7, making these probes valuable tools for studying intracellular pH dynamics in real-time.

Looking forward, the versatility of 2-(Trifluoromethoxy)terephthalic Acid (>85%) (CAS: 175278-21-4) continues to inspire innovative applications across multiple disciplines. Ongoing research is exploring its potential in covalent drug design, where the carboxylic acid groups can serve as attachment points for targeted covalent inhibitors. Additionally, its role in the development of novel polymer materials with tailored dielectric properties represents another promising direction. As synthetic methodologies improve and our understanding of structure-property relationships deepens, this compound is poised to make significant contributions to advancing both fundamental research and practical applications in chemical biology and pharmaceutical sciences.

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