Cas no 51776-71-7 (1-Bromo-4-(difluoromethyl)benzene)

1-Bromo-4-(difluoromethyl)benzene is a fluorinated aromatic compound with the molecular formula C?H?BrF?. It serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of both bromine and difluoromethyl groups enhances its reactivity, enabling selective functionalization via cross-coupling reactions, nucleophilic substitutions, or further fluorination processes. Its stability under standard conditions and well-defined reactivity profile make it a valuable building block for constructing complex molecules. The difluoromethyl group contributes unique electronic and steric properties, often improving metabolic stability in bioactive compounds. This compound is typically handled under inert conditions due to its sensitivity to moisture and strong bases.
1-Bromo-4-(difluoromethyl)benzene structure
51776-71-7 structure
Product Name:1-Bromo-4-(difluoromethyl)benzene
CAS No:51776-71-7
MF:C7H5BrF2
MW:207.015408277512
MDL:MFCD06657964
CID:56089
PubChem ID:2761183
Update Time:2025-05-22

1-Bromo-4-(difluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-4-(difluoromethyl)benzene
    • MFCD06657964
    • 1-Bromo-4-difluoromethylbenzene stabilized over potassium carbonate
    • 1-Bromo-4-difluoromethyl benzene
    • SCHEMBL249690
    • AS-33066
    • p-bromo-alpha,alpha-difluorotoluene
    • A828766
    • DTXSID00375609
    • 1-bromo-4-(difluoro-methyl)-benzene
    • CHEMBL4446968
    • Benzene, 1-bromo-4-(difluoromethyl)-
    • EN300-106997
    • 1-Bromo-4-difluoromethylbenzene
    • FT-0678874
    • 1-Bromo-4-difluoromethyl-benzene
    • SY041190
    • CS-0068749
    • J-504446
    • IOCETAMICACID(200MG)
    • 1-Bromo-4-(difluoromethyl)benzene, 97%
    • AB91725
    • 51776-71-7
    • AM87027
    • AKOS005063348
    • STL554853
    • BBL101059
    • MDL: MFCD06657964
    • Inchi: 1S/C7H5BrF2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H
    • InChI Key: HUSPSWKWFREKSS-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C(F)F)=CC=1

Computed Properties

  • Exact Mass: 205.95400
  • Monoisotopic Mass: 205.954
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 97.8
  • 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: 3.2
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Density: 1.604?g/mL?at 25?°C
  • Boiling Point: 100℃/53mm
  • Flash Point: Fahrenheit: 188.6 ° f < br / > Celsius: 87 ° C < br / >
  • Refractive Index: n20/D 1.514
  • PSA: 0.00000
  • LogP: 3.38670

1-Bromo-4-(difluoromethyl)benzene Security Information

  • Hazardous Material transportation number:1993
  • WGK Germany:2
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-37-60
  • HazardClass:IRRITANT
  • PackingGroup:

1-Bromo-4-(difluoromethyl)benzene Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated 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:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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1-Bromo-4-(difluoromethyl)benzene Production Method

1-Bromo-4-(difluoromethyl)benzene Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:51776-71-7)1-Bromo-4-(difluoromethyl)benzene
Order Number:A828766
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:11
Price ($):242.0

Additional information on 1-Bromo-4-(difluoromethyl)benzene

1-Bromo-4-(difluoromethyl)benzene

1-Bromo-4-(difluoromethyl)benzene (CAS No: 51776-71-7) is a versatile aromatic compound that has garnered significant attention in the fields of organic chemistry, materials science, and pharmaceutical research. This compound, also referred to as bromodiflurmethane benzene, is characterized by its unique structure, which consists of a bromine atom and a difluoromethyl group attached to a benzene ring at the para position. The combination of these substituents imparts distinctive electronic and steric properties, making it a valuable building block in various synthetic pathways.

The synthesis of 1-bromo-4-(difluoromethyl)benzene typically involves electrophilic substitution reactions on aromatic rings. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and environmental impact. For instance, researchers have explored the use of palladium-catalyzed coupling reactions to construct this compound, leveraging its reactivity for applications in drug discovery and material synthesis.

One of the most promising applications of bromodiflurmethane benzene lies in its role as an intermediate in the synthesis of biologically active molecules. Its bromine atom serves as an excellent leaving group, facilitating nucleophilic substitutions that are critical in forming complex organic structures. Recent studies have highlighted its utility in the development of novel antibiotics and anticancer agents, where precise control over substitution patterns is essential for achieving desired pharmacological properties.

In addition to its role in medicinal chemistry, 1-bromo-4-(difluoromethyl)benzene has found applications in materials science, particularly in the synthesis of advanced polymers and electronic materials. The fluorinated substituent enhances the compound's stability and electronic properties, making it suitable for use in high-performance polymers and optoelectronic devices. Researchers have demonstrated that incorporating this compound into polymer frameworks can significantly improve their thermal stability and mechanical strength.

The electronic properties of bromodiflurmethane benzene have also been leveraged in the development of novel sensors and diagnostic tools. Its ability to undergo reversible redox reactions makes it a candidate for use in electrochemical sensors designed for detecting trace amounts of hazardous substances or biomolecules. Recent breakthroughs in nanotechnology have further expanded its potential applications in this domain.

From an environmental standpoint, the stability and reactivity of 1-bromo-4-(difluoromethyl)benzene are subjects of ongoing research. Scientists are investigating its degradation pathways under various environmental conditions to assess its potential impact on ecosystems. Understanding these processes is crucial for developing sustainable practices for handling and disposing of this compound.

In conclusion, 1-bromo-4-(difluoromethyl)benzene (CAS No: 51776-71-7) stands out as a multifaceted compound with diverse applications across multiple disciplines. Its unique chemical properties continue to drive innovative research, offering new possibilities for advancing medicine, materials science, and environmental sustainability.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:51776-71-7)1-Bromo-4-(difluoromethyl)benzene
A828766
Purity:99%
Quantity:25g
Price ($):242.0
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