Cas no 690264-39-2 (4-Bromo-2-(trifluoromethoxy)phenol)

4-Bromo-2-(trifluoromethoxy)phenol structure
690264-39-2 structure
Product Name:4-Bromo-2-(trifluoromethoxy)phenol
CAS No:690264-39-2
MF:C7H4BrF3O2
MW:257.004672050476
MDL:MFCD09037798
CID:868033
Update Time:2025-07-20

4-Bromo-2-(trifluoromethoxy)phenol Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-2-(trifluoromethoxy)phenol
    • AK103205
    • 4-bromo-2-trifluoromethoxyphenol
    • GYXNTPVMXGBRQW-UHFFFAOYSA-N
    • 4-bromo-2-trifluoromethoxy-phenol
    • STL554234
    • BBL100440
    • FCH1325602
    • 4-bromanyl-2-(trifluoromethyloxy)phenol
    • Phenol, 4-bromo-2-(trifluoromethoxy)-
    • PC500169
    • SY029799
    • ST2405597
    • AB0067579
    • AX8234744
    • 4-Bromo-2-(trifluoromethoxy)phenol
    • MDL: MFCD09037798
    • Inchi: 1S/C7H4BrF3O2/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3,12H
    • InChI Key: GYXNTPVMXGBRQW-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)OC(F)(F)F)O

Computed Properties

  • Exact Mass: 255.93500
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 174
  • XLogP3: 2.7
  • Topological Polar Surface Area: 29.5

Experimental Properties

  • Melting Point: 51-55℃
  • PSA: 29.46000
  • LogP: 3.05330

4-Bromo-2-(trifluoromethoxy)phenol Customs Data

  • HS CODE:2909500000
  • Customs Data:

    China Customs Code:

    2909500000

    Overview:

    2909500000. Ether phenol\Ether alcohol phenol and its halogenation\sulfonation\Nitrosative or nitrosative derivatives. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

4-Bromo-2-(trifluoromethoxy)phenol Pricemore >>

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Additional information on 4-Bromo-2-(trifluoromethoxy)phenol

Comprehensive Overview of 4-Bromo-2-(trifluoromethoxy)phenol (CAS No. 690264-39-2): Properties, Applications, and Industry Insights

4-Bromo-2-(trifluoromethoxy)phenol (CAS No. 690264-39-2) is a halogenated aromatic compound with significant relevance in pharmaceutical and agrochemical research. Its molecular structure combines a phenol core with bromo and trifluoromethoxy substituents, offering unique electronic and steric properties. This compound has garnered attention due to its potential as a building block in drug discovery, particularly for targeting enzyme inhibition and receptor modulation.

The trifluoromethoxy group in 4-Bromo-2-(trifluoromethoxy)phenol enhances lipophilicity and metabolic stability, making it valuable in designing bioactive molecules. Researchers frequently explore its derivatives for applications in central nervous system (CNS) drug development, where fluorine-containing motifs improve blood-brain barrier penetration. Recent studies highlight its utility in synthesizing antimicrobial agents and anti-inflammatory compounds, aligning with the growing demand for novel therapeutic scaffolds.

From a synthetic chemistry perspective, CAS 690264-39-2 serves as a versatile intermediate. Its bromine atom enables further functionalization via cross-coupling reactions (e.g., Suzuki or Buchwald-Hartwig), while the phenolic hydroxyl group allows for etherification or esterification. These transformations are critical in creating structure-activity relationship (SAR) libraries, a hot topic in AI-driven drug discovery platforms that optimize lead compounds computationally.

Environmental and regulatory considerations are increasingly shaping the use of halogenated compounds like 4-Bromo-2-(trifluoromethoxy)phenol. The industry is adopting green chemistry principles to minimize waste during its synthesis, with microwave-assisted and flow chemistry methods gaining traction. Analytical techniques such as HPLC-MS and NMR spectroscopy ensure high purity standards, addressing the pharmaceutical sector's stringent quality requirements.

Market trends indicate rising interest in fluorinated building blocks, driven by their prevalence in FDA-approved drugs. 690264-39-2 exemplifies this trend, with suppliers emphasizing scalable production and custom synthesis services to support R&D pipelines. Its stability under physiological conditions also makes it a candidate for pro-drug development, another area witnessing accelerated investment.

In material science, derivatives of 4-Bromo-2-(trifluoromethoxy)phenol have shown promise in liquid crystal formulations and organic electronic materials. The compound's ability to influence mesophase behavior and charge transport properties aligns with advancements in flexible display technologies and OLED manufacturing – sectors experiencing exponential growth.

Safety data sheets for CAS 690264-39-2 emphasize standard laboratory handling protocols, reflecting its classification as a non-hazardous research chemical under normal conditions. Storage recommendations typically include protection from light and moisture to maintain stability, with compatibility noted for common organic solvents like DMSO and dichloromethane.

Future research directions may explore 4-Bromo-2-(trifluoromethoxy)phenol's role in bioconjugation chemistry for antibody-drug conjugates (ADCs) or its potential as a metabolite tracer in pharmacokinetic studies. The compound's structural features position it well for these emerging applications, particularly as the pharmaceutical industry prioritizes targeted drug delivery systems.

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