Cas no 1190865-42-9 (1-(3,5-Dibromophenyl)-2,2,2-trifluoroethanone)

1-(3,5-Dibromophenyl)-2,2,2-trifluoroethanone is a brominated and fluorinated aromatic ketone with significant utility in synthetic organic chemistry. Its key structural features include a trifluoroacetyl group and dibromo-substituted phenyl ring, enhancing its reactivity as an electrophile in cross-coupling reactions and nucleophilic substitutions. The electron-withdrawing properties of the trifluoromethyl and bromo substituents make it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its high purity and stability under standard conditions ensure consistent performance in demanding applications. The compound is particularly useful in constructing complex molecular frameworks due to its ability to undergo selective functionalization at multiple reactive sites. Proper handling and storage are recommended due to its potential sensitivity to moisture and light.
1-(3,5-Dibromophenyl)-2,2,2-trifluoroethanone structure
1190865-42-9 structure
Product Name:1-(3,5-Dibromophenyl)-2,2,2-trifluoroethanone
CAS No:1190865-42-9
MF:C8H3Br2F3O
MW:331.912031412125
CID:1089813
PubChem ID:67452154
Update Time:2025-10-29

1-(3,5-Dibromophenyl)-2,2,2-trifluoroethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(3,5-Dibromophenyl)-2,2,2-trifluoroethanone
    • MFCD27665749
    • SCHEMBL2560056
    • Ethanone, 1-(3,5-dibromophenyl)-2,2,2-trifluoro-
    • AKOS022173364
    • DTXSID60737284
    • 1190865-42-9
    • 1-(3,5-Dibromophenyl)-2,2,2-trifluoroethan-1-one
    • Inchi: 1S/C8H3Br2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
    • InChI Key: ZNBTWCALOYMPHK-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=C(C(C(F)(F)F)=O)C=1)Br

Computed Properties

  • Exact Mass: 331.84822g/mol
  • Monoisotopic Mass: 329.85027g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 219
  • 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: 4.1
  • Topological Polar Surface Area: 17.1?2

1-(3,5-Dibromophenyl)-2,2,2-trifluoroethanone Pricemore >>

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Additional information on 1-(3,5-Dibromophenyl)-2,2,2-trifluoroethanone

Introduction to 1-(3,5-Dibromophenyl)-2,2,2-Trifluoroethanone (CAS No: 1190865-42-9)

1-(3,5-Dibromophenyl)-2,2,2-Trifluoroethanone, also known by its CAS number 1190865-42-9, 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 combines a dibromophenyl group with a trifluoroacetyl moiety. The combination of these functional groups imparts distinctive chemical and physical properties that make it valuable for research and industrial applications.

The molecular formula of this compound is C8H3Br2F3O, and its molecular weight is approximately 346.0 g/mol. The structure features a benzene ring substituted with two bromine atoms at the 3 and 5 positions and a trifluoroacetyl group attached to the 1 position. This arrangement leads to significant electronic effects due to the electron-withdrawing nature of both the bromine atoms and the trifluoromethyl group. These effects influence the compound's reactivity in various chemical reactions.

The synthesis of 1-(3,5-Dibromophenyl)-2,2,2-Trifluoroethanone typically involves multi-step organic synthesis strategies. One common approach includes the bromination of acetophenone derivatives followed by fluorination or substitution reactions to introduce the trifluoroacetyl group. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, making large-scale production more feasible.

In terms of physical properties, this compound exhibits a high melting point due to its rigid structure and strong intermolecular forces. Its solubility in organic solvents is moderate but can be enhanced under specific conditions. The compound's stability under thermal and oxidative conditions has been extensively studied, making it suitable for applications requiring robust chemical resistance.

The applications of CAS No: 1190865-42-9 are diverse and expanding rapidly with ongoing research. In pharmaceuticals, it serves as an intermediate in the synthesis of bioactive compounds targeting specific receptors or enzymes. Recent studies have highlighted its potential as a precursor for developing novel antibiotics and anticancer agents.

In materials science, this compound has found use as a building block for advanced polymers and coatings due to its ability to impart flame-retardant properties without compromising mechanical integrity. Researchers have also explored its role in creating stimuli-responsive materials that can adapt to environmental changes such as temperature or pH levels.

Agricultural chemistry has benefited from this compound's application as an efficient herbicide component. Its ability to selectively inhibit plant enzymes while maintaining low toxicity towards non-target organisms makes it an attractive option for sustainable pest control solutions.

The latest research on 1-(3,5-Dibromophenyl)-2,2,2-Trifluoroethanone focuses on enhancing its bioavailability for medical applications through nanotechnology-based delivery systems. Additionally, efforts are underway to optimize its synthesis pathways using green chemistry principles to minimize environmental impact.

In conclusion, CAS No: 1190865-42-9, or 1-(3,5-Dibromophenyl)-2,2,2-Trifluoroethanone, stands out as a versatile compound with promising potential across multiple disciplines. Its unique structure and properties continue to drive innovative research directions aimed at harnessing its full potential while ensuring sustainable practices in its production and application.

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