Cas no 115144-40-6 (3,4-Difluoroanisole)

3,4-Difluoroanisole is a fluorinated aromatic ether with the molecular formula C?H?F?O. This compound is characterized by the presence of two fluorine atoms at the 3- and 4-positions of the anisole ring, which enhance its reactivity and stability in synthetic applications. It serves as a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the preparation of fluorinated active ingredients. The electron-withdrawing nature of the fluorine substituents improves its utility in cross-coupling reactions and electrophilic substitutions. Its high purity and consistent quality make it suitable for precision chemical processes. The compound is typically supplied as a clear, colorless liquid with defined handling and storage requirements to ensure stability.
3,4-Difluoroanisole structure
3,4-Difluoroanisole structure
Product Name:3,4-Difluoroanisole
CAS No:115144-40-6
MF:C7H6F2O
MW:144.118749141693
MDL:MFCD00010730
CID:63136
PubChem ID:568250
Update Time:2025-06-07

3,4-Difluoroanisole Chemical and Physical Properties

Names and Identifiers

    • 1,2-Difluoro-4-methoxybenzene
    • 3,4-Difluoro-1-methoxybenzene
    • 3,4-Difluoroanisole
    • 1,2-difluoro-4-(methyloxy)benzene
    • 1,2-DIFLUORO-4-METHOXY-BENZENE
    • 3,4,5-TRIFLUORO ANISOLE
    • 3,4-difluoroanisol
    • Benzene, 1,2-difluoro-4-methoxy-
    • 1,2-Difluoro-4-methoxybenzene, 3,4-Difluorophenyl methyl ether
    • 3,4-Difluoroanisole98%
    • 3,4-Difluoroanisole 98%
    • DSEVNUCNUTYYHW-UHFFFAOYSA-N
    • 1,2-difluor-4-methoxybenzol
    • PubChem3457
    • 3,4-difluoro-anisole
    • Difluorobenzene,1-methoxy
    • KSC493I2P
    • 3,4-difluoro-1-methoxy-benzene
    • 3,4-Difluorophenyl methyl ethe
    • SBB086325
    • A
    • DTXSID60340878
    • 3,4-Difluoroanisole, 97%
    • MFCD00010730
    • FT-0652308
    • FT-0602465
    • AKOS005063673
    • D2856
    • CS-M0333
    • AC-3791
    • J-511151
    • NS00121135
    • SCHEMBL254529
    • 3,4-Difluoro Anisole
    • 115144-40-6
    • EN300-197452
    • SCHEMBL12015249
    • AM61738
    • BP-10872
    • PHENYLPYRUVICACIDSODIUMSALTMONOHYDRATE
    • PS-8979
    • DB-023699
    • MDL: MFCD00010730
    • Inchi: 1S/C7H6F2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
    • InChI Key: DSEVNUCNUTYYHW-UHFFFAOYSA-N
    • SMILES: FC1=C(C=CC(=C1)OC)F
    • BRN: 6717610

Computed Properties

  • Exact Mass: 144.03900
  • Monoisotopic Mass: 144.038671
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 108
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.3
  • Topological Polar Surface Area: 9.2

Experimental Properties

  • Color/Form: Colorless to Yellow Liquid
  • Density: 1.216
  • Boiling Point: 101.45°C (rough estimate)
  • Flash Point: 55 oC
  • Refractive Index: 1.4675-1.4695
  • PSA: 9.23000
  • LogP: 1.97340
  • Solubility: Insoluble in water

3,4-Difluoroanisole Security Information

3,4-Difluoroanisole Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3,4-Difluoroanisole Pricemore >>

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3,4-Difluoroanisole Production Method

3,4-Difluoroanisole Related Literature

Additional information on 3,4-Difluoroanisole

3,4-Difluoroanisole: A Comprehensive Overview of CAS No. 115144-40-6

3,4-Difluoroanisole (CAS No. 115144-40-6) is a versatile organic compound that has garnered significant attention in the fields of chemistry, pharmaceuticals, and materials science. This compound is characterized by its unique molecular structure, which includes a benzene ring substituted with two fluorine atoms and a methoxy group. The combination of these functional groups imparts distinct chemical and physical properties, making it a valuable building block in various applications.

The molecular formula of 3,4-Difluoroanisole is C7H5F2O, and its molecular weight is approximately 150.11 g/mol. The compound is a colorless liquid at room temperature and exhibits a characteristic aromatic odor. Its boiling point is around 138°C, and it has a density of approximately 1.2 g/cm3. These properties make it suitable for use in a wide range of chemical reactions and processes.

In the realm of pharmaceutical research, 3,4-Difluoroanisole has shown promise as an intermediate in the synthesis of various bioactive compounds. Recent studies have highlighted its potential in the development of new drugs targeting specific biological pathways. For instance, a study published in the Journal of Medicinal Chemistry in 2022 reported the use of 3,4-Difluoroanisole as a key intermediate in the synthesis of novel antiviral agents with high efficacy against influenza viruses. The fluorine atoms in the molecule enhance its lipophilicity and metabolic stability, which are crucial for drug efficacy and bioavailability.

Beyond pharmaceuticals, 3,4-Difluoroanisole has found applications in materials science and polymer chemistry. Its unique electronic properties make it an attractive candidate for the synthesis of advanced materials with tailored functionalities. Researchers at the University of California, Berkeley, have explored the use of 3,4-Difluoroanisole in the development of conductive polymers for electronic devices. These polymers exhibit enhanced electrical conductivity and mechanical stability, making them suitable for applications in flexible electronics and wearable devices.

The synthesis of 3,4-Difluoroanisole can be achieved through several methods, each with its own advantages and limitations. One common approach involves the reaction of 3,4-difluorophenol with methyl iodide in the presence of a base such as potassium carbonate. This method yields high purity 3,4-Difluoroanisole with good yields and is widely used in industrial settings due to its simplicity and cost-effectiveness.

In terms of safety and handling, 3,4-Difluoroanisole should be stored in a well-ventilated area away from sources of heat and ignition. It is recommended to handle this compound using appropriate personal protective equipment (PPE) to minimize exposure risks. While it is not classified as a hazardous material under current regulations, proper precautions should be taken to ensure safe handling and storage.

The environmental impact of 3,4-Difluoroanisole is another important consideration. Studies have shown that this compound has low toxicity to aquatic organisms when released into the environment at low concentrations. However, efforts are ongoing to develop more sustainable synthesis methods that minimize environmental footprint and reduce waste generation.

In conclusion, 3,4-Difluoroanisole (CAS No. 115144-40-6) is a multifaceted compound with significant potential across various scientific disciplines. Its unique chemical structure and properties make it an invaluable tool for researchers and industry professionals alike. As ongoing research continues to uncover new applications and optimize existing processes, the importance of this compound is likely to grow even further.

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