Cas no 112556-13-5 (1-Bromo-4-[chloro(difluoro)methoxy]benzene)

1-Bromo-4-[chloro(difluoro)methoxy]benzene is a halogenated aromatic compound featuring both bromine and chloro(difluoro)methoxy functional groups. Its unique structure makes it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of bromine enhances reactivity in cross-coupling reactions, while the chloro(difluoro)methoxy group contributes to electronic modulation and stability. This compound is particularly useful in constructing complex molecules requiring selective functionalization. Its well-defined reactivity profile and compatibility with various reaction conditions make it a reliable choice for researchers in medicinal chemistry and material science. Proper handling is advised due to its halogenated nature.
1-Bromo-4-[chloro(difluoro)methoxy]benzene structure
112556-13-5 structure
Product Name:1-Bromo-4-[chloro(difluoro)methoxy]benzene
CAS No:112556-13-5
MF:C7H4BrClF2O
MW:257.459867477417
MDL:MFCD22580792
CID:3043811
PubChem ID:621035
Update Time:2025-06-08

1-Bromo-4-[chloro(difluoro)methoxy]benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-4-[chloro(difluoro)methoxy]benzene
    • CS-0451321
    • QBFJZAGJDZAVQT-UHFFFAOYSA-N
    • 4-Bromo(difluorochloromethoxy)benzene
    • DTXSID50347396
    • Benzene, 1-bromo-4-(chlorodifluoromethoxy)-
    • AKOS016016303
    • 1-Bromo-4-[chloro(difluoro)methoxy]benzene #
    • 1-BROMO-4-(CHLORODIFLUOROMETHOXY)BENZENE
    • STL555913
    • Benzene, 1-bromo-4-chlorodifluoromethoxy-
    • MS-20371
    • BBL102114
    • SCHEMBL9804700
    • MFCD22580792
    • G30543
    • 112556-13-5
    • MEA55613
    • 1-Bromo-4-(chloro(difluoro)methoxy)benzene
    • 858-875-7
    • MDL: MFCD22580792
    • Inchi: 1S/C7H4BrClF2O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
    • InChI Key: QBFJZAGJDZAVQT-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)OC(F)(F)Cl

Computed Properties

  • Exact Mass: 255.91021g/mol
  • Monoisotopic Mass: 255.91021g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 148
  • 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: 9.2?2

1-Bromo-4-[chloro(difluoro)methoxy]benzene Pricemore >>

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1-Bromo-4-[chloro(difluoro)methoxy]benzene Suppliers

Amadis Chemical Company Limited
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(CAS:112556-13-5)1-Bromo-4-[chloro(difluoro)methoxy]benzene
Order Number:A1106866
Stock Status:in Stock
Quantity:10g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 20:47
Price ($):873.0

Additional information on 1-Bromo-4-[chloro(difluoro)methoxy]benzene

Chemical Profile of 1-Bromo-4-[chloro(difluoro)methoxy]benzene (CAS No. 112556-13-5)

1-Bromo-4-[chloro(difluoro)methoxy]benzene, identified by its Chemical Abstracts Service (CAS) number 112556-13-5, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This molecule, featuring a bromine substituent at the ortho position relative to a chloro(difluoro)methoxy group, presents a unique structural framework that makes it a valuable intermediate in the synthesis of more complex molecules.

The compound’s structure is characterized by a benzene ring that is functionalized with bromine at the first position and a chloro(difluoro)methoxy group at the fourth position. This arrangement imparts distinct electronic and steric properties to the molecule, which are highly relevant for its potential applications in drug discovery and material science. The presence of both bromine and chlorine atoms makes it an attractive candidate for further chemical modifications via cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, which are widely employed in the construction of biaryl structures found in many bioactive compounds.

In recent years, there has been growing interest in the development of novel aryl halides as building blocks for pharmaceuticals. The specific substitution pattern of 1-Bromo-4-[chloro(difluoro)methoxy]benzene aligns well with this trend, as it provides a versatile platform for generating diverse derivatives. For instance, palladium-catalyzed reactions can be utilized to introduce various nucleophiles at the bromine or chlorine positions, enabling the synthesis of heterocyclic compounds or molecules with additional functional groups.

One of the most compelling aspects of this compound is its potential utility in medicinal chemistry. Researchers have been exploring its role as a precursor in the synthesis of kinase inhibitors, which are critical in treating cancers and inflammatory diseases. The chloro(difluoro)methoxy moiety, in particular, has shown promise in modulating enzyme activity due to its ability to engage in hydrogen bonding and hydrophobic interactions with biological targets. Furthermore, the fluorine atoms can enhance metabolic stability and binding affinity, making such compounds more effective in vivo.

Recent studies have also highlighted the importance of 1-Bromo-4-[chloro(difluoro)methoxy]benzene in the development of agrochemicals. Its structural features make it a suitable candidate for designing novel pesticides and herbicides that target specific enzymes or receptors in pests while minimizing environmental impact. The compound’s ability to serve as a scaffold for further derivatization allows chemists to fine-tune its properties, such as solubility and bioavailability, to optimize its performance in agricultural applications.

The synthetic pathways involving 1-Bromo-4-[chloro(difluoro)methoxy]benzene have been optimized to ensure high yields and purity, making it commercially viable for industrial applications. Advanced techniques such as flow chemistry have been employed to improve reaction efficiency and scalability. These advancements have not only reduced production costs but also opened up new possibilities for large-scale synthesis of complex molecules derived from this intermediate.

In conclusion, 1-Bromo-4-[chloro(difluoro)methoxy]benzene (CAS No. 112556-13-5) represents a significant advancement in synthetic chemistry with broad implications for pharmaceuticals and agrochemicals. Its unique structural features and reactivity make it an indispensable tool for researchers seeking to develop innovative treatments and sustainable solutions for global challenges. As the field continues to evolve, this compound is likely to play an even greater role in shaping the future of chemical biology and drug discovery.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:112556-13-5)1-Bromo-4-[chloro(difluoro)methoxy]benzene
A1106866
Purity:99%
Quantity:10g
Price ($):873.0
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