Cas no 1355248-26-8 (4-bromo-2-propoxy-1-(trifluoromethoxy)benzene)

4-Bromo-2-propoxy-1-(trifluoromethoxy)benzene is a halogenated aromatic compound featuring bromine, propoxy, and trifluoromethoxy substituents on a benzene ring. Its distinct structure makes it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The bromine moiety offers reactivity for cross-coupling reactions, while the trifluoromethoxy group enhances lipophilicity and metabolic stability, making it useful in drug design. The propoxy chain provides additional steric and electronic modulation. This compound is well-suited for use in Suzuki, Heck, and other palladium-catalyzed transformations. Its stability under standard conditions ensures ease of handling and storage, making it a practical choice for research and industrial processes.
4-bromo-2-propoxy-1-(trifluoromethoxy)benzene structure
1355248-26-8 structure
Product Name:4-bromo-2-propoxy-1-(trifluoromethoxy)benzene
CAS No:1355248-26-8
MF:C10H10BrF3O2
MW:299.084413051605
MDL:MFCD21333070
CID:2771460
PubChem ID:70699709
Update Time:2025-05-21

4-bromo-2-propoxy-1-(trifluoromethoxy)benzene Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-2-propoxy-1-(trifluoromethoxy)benzene
    • 1355248-26-8
    • DTXSID70742824
    • MFCD21333070
    • CS-0212525
    • BS-24919
    • MDL: MFCD21333070
    • Inchi: 1S/C10H10BrF3O2/c1-2-5-15-9-6-7(11)3-4-8(9)16-10(12,13)14/h3-4,6H,2,5H2,1H3
    • InChI Key: SZERBABRIDBKBZ-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)OCCC)OC(F)(F)F

Computed Properties

  • Exact Mass: 297.98200
  • Monoisotopic Mass: 297.98163Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 211
  • 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: 4.7
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 239.3±35.0 °C at 760 mmHg
  • PSA: 18.46000
  • LogP: 4.13650

4-bromo-2-propoxy-1-(trifluoromethoxy)benzene Security Information

4-bromo-2-propoxy-1-(trifluoromethoxy)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B698800-100mg
4-Bromo-2-propoxy-1-(trifluoromethoxy)benzene
1355248-26-8
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$ 64.00 2023-04-18
TRC
B698800-250mg
4-Bromo-2-propoxy-1-(trifluoromethoxy)benzene
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$ 98.00 2023-04-18
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B698800-500mg
4-Bromo-2-propoxy-1-(trifluoromethoxy)benzene
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$ 150.00 2023-04-18
TRC
B698800-1g
4-Bromo-2-propoxy-1-(trifluoromethoxy)benzene
1355248-26-8
1g
$ 207.00 2023-04-18
abcr
AB312087-1 g
4-Bromo-2-propoxy-1-(trifluoromethoxy)benzene, 97%; .
1355248-26-8 97%
1g
€246.00 2023-04-26
abcr
AB312087-5 g
4-Bromo-2-propoxy-1-(trifluoromethoxy)benzene, 97%; .
1355248-26-8 97%
5g
€654.00 2023-04-26
abcr
AB312087-10 g
4-Bromo-2-propoxy-1-(trifluoromethoxy)benzene, 97%; .
1355248-26-8 97%
10g
€1062.00 2023-04-26
abcr
AB312087-1g
4-Bromo-2-propoxy-1-(trifluoromethoxy)benzene, 97%; .
1355248-26-8 97%
1g
€246.00 2025-04-21
abcr
AB312087-5g
4-Bromo-2-propoxy-1-(trifluoromethoxy)benzene, 97%; .
1355248-26-8 97%
5g
€654.00 2025-04-21
abcr
AB312087-10g
4-Bromo-2-propoxy-1-(trifluoromethoxy)benzene, 97%; .
1355248-26-8 97%
10g
€1062.00 2025-04-21

Additional information on 4-bromo-2-propoxy-1-(trifluoromethoxy)benzene

4-Bromo-2-Propoxy-1-(Trifluoromethoxy)Benzene: A Comprehensive Overview

The compound 4-bromo-2-propoxy-1-(trifluoromethoxy)benzene, identified by the CAS number 1355248-26-8, is a highly specialized aromatic compound with significant applications in various fields of chemistry. This compound is characterized by its unique substitution pattern on the benzene ring, featuring a bromine atom at the para position, a propoxy group at the ortho position, and a trifluoromethoxy group at the meta position. The combination of these substituents imparts distinctive chemical properties, making it a valuable compound in both academic research and industrial applications.

Recent studies have highlighted the potential of 4-bromo-2-propoxy-1-(trifluoromethoxy)benzene in drug discovery and development. Its structure, which includes electron-withdrawing groups such as bromine and trifluoromethoxy, enhances its reactivity in various organic reactions. This makes it an ideal candidate for use as an intermediate in the synthesis of complex molecules, particularly those with bioactive properties. Researchers have explored its role in constructing heterocyclic compounds, which are crucial in medicinal chemistry due to their ability to interact with biological targets such as enzymes and receptors.

In addition to its role in drug development, 4-bromo-2-propoxy-1-(trifluoromethoxy)benzene has found applications in materials science. The trifluoromethoxy group introduces fluorine into the molecule, which is known for its ability to enhance thermal stability and chemical resistance. These properties make the compound suitable for use in advanced materials such as high-performance polymers and coatings. Recent advancements in polymer chemistry have demonstrated how such compounds can be integrated into polymer networks to improve their mechanical and thermal properties.

The synthesis of 4-bromo-2-propoxy-1-(trifluoromethoxy)benzene involves a series of carefully controlled reactions, often utilizing modern synthetic techniques such as Suzuki coupling or nucleophilic aromatic substitution. These methods allow for precise control over the substitution pattern on the benzene ring, ensuring high purity and consistency in the final product. The availability of this compound has been further enhanced by advancements in chemical manufacturing technologies, making it more accessible for both research and industrial purposes.

From an environmental perspective, the stability and reactivity of 4-bromo-2-propoxy-1-(trifluoromethoxy)benzene have been subjects of recent investigations. Studies have shown that while the compound exhibits high chemical stability under normal conditions, it can undergo degradation under specific environmental conditions, such as exposure to UV light or strong oxidizing agents. Understanding these degradation pathways is crucial for assessing its environmental impact and ensuring sustainable practices in its production and use.

In conclusion, 4-bromo-2-propoxy-1-(trifluoromethoxy)benzene, with its unique structural features and versatile chemical properties, continues to play a pivotal role in advancing various areas of chemistry. Its applications span from drug discovery to materials science, with ongoing research uncovering new potential uses and improving synthetic methodologies. As scientific understanding deepens, this compound is poised to contribute even more significantly to innovative solutions across multiple industries.

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