Cas no 200956-14-5 (2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene)

2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene is a halogenated aromatic compound featuring bromine and trifluoromethoxy substituents on a methoxybenzene scaffold. Its unique structure makes it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of both bromine and trifluoromethoxy groups enhances reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling the introduction of diverse functional groups. The trifluoromethoxy moiety contributes to increased lipophilicity and metabolic stability, making it useful in medicinal chemistry. This compound is characterized by high purity and stability under standard storage conditions, ensuring reliable performance in synthetic applications.
2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene structure
200956-14-5 structure
Product Name:2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene
CAS No:200956-14-5
MF:C8H6BrF3O2
MW:271.031252384186
MDL:MFCD04973759
CID:1035879
PubChem ID:18669052
Update Time:2025-08-05

2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene
    • DTXSID00595421
    • A846967
    • AMY15107
    • Benzene, 2-bromo-1-methoxy-4-(trifluoromethoxy)-
    • MFCD04973759
    • CS-0192567
    • 2-Bromo-4-trifluoromethoxyanisole
    • SCHEMBL5158453
    • DB-313598
    • 2-bromo-1-methoxy4-(trifluoromethoxy)benzene
    • 200956-14-5
    • 2-Bromo-4-(trifluoromethoxy)anisole
    • E89796
    • 2-bromo-1-methoxy-4-trifluoromethoxy-benzene
    • MDL: MFCD04973759
    • Inchi: 1S/C8H6BrF3O2/c1-13-7-3-2-5(4-6(7)9)14-8(10,11)12/h2-4H,1H3
    • InChI Key: NLXLUYVVEOZWNB-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=CC=1OC)OC(F)(F)F

Computed Properties

  • Exact Mass: 269.95033g/mol
  • Monoisotopic Mass: 269.95033g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 186
  • 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
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 212.8±35.0 °C at 760 mmHg
  • Flash Point: 180.2±30.7 °C

2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene Security Information

2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene Pricemore >>

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Additional information on 2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene

2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene (CAS No. 200956-14-5)

2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene, also known by its CAS registry number CAS No. 200956-14-5, is a highly specialized organic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which includes a bromine atom, a methoxy group, and a trifluoromethoxy group attached to a benzene ring. The combination of these substituents imparts distinctive chemical properties, making it an invaluable compound in both academic research and industrial applications.

The synthesis of 2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene involves a series of carefully controlled reactions, often utilizing advanced catalytic systems to ensure high yields and purity. Recent studies have focused on optimizing the synthesis process to reduce costs and minimize environmental impact, aligning with the growing emphasis on sustainable chemistry practices.

One of the most notable features of this compound is its exceptional stability under various chemical conditions. The trifluoromethoxy group, in particular, contributes significantly to the compound's resistance to oxidation and hydrolysis, making it ideal for use in harsh chemical environments. This stability has been leveraged in the development of novel materials for electronic devices, where durability and performance under stress are critical.

In terms of reactivity, 2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene exhibits unique behavior in nucleophilic aromatic substitution reactions due to the electron-withdrawing effects of its substituents. Recent research has explored its potential as a precursor for synthesizing more complex aromatic compounds with tailored functionalities. These studies have opened new avenues for drug discovery and the development of advanced polymers.

The compound's electronic properties have also been a focal point of recent investigations. Its ability to act as an electron-deficient aromatic system makes it a promising candidate for applications in organic electronics, such as in the construction of light-emitting diodes (LEDs) and organic photovoltaic cells. Researchers have demonstrated that incorporating this compound into device architectures can enhance efficiency and stability, contributing to the advancement of renewable energy technologies.

Beyond its chemical applications, 2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene has found utility in analytical chemistry as a reference standard for chromatographic separations. Its distinct spectral properties make it an ideal choice for calibrating instruments used in quality control and forensic analysis.

In conclusion, 2-Bromo-1-methoxy-4-(trifluoromethoxy)benzene (CAS No. 200956-14-5) stands as a testament to the ingenuity of modern chemistry, offering versatile applications across multiple disciplines. As research continues to uncover new potential uses for this compound, its role in shaping future technologies is expected to grow significantly.

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