Cas no 443-88-9 (2,6-Dimethylfluorobenzene)

2,6-Dimethylfluorobenzene is a fluorinated aromatic compound characterized by the presence of two methyl groups at the 2 and 6 positions relative to the fluorine substituent on the benzene ring. This structural configuration imparts steric hindrance and electronic effects, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. Its high purity and stability under standard conditions ensure reliable performance in reactions such as nucleophilic aromatic substitution or metal-catalyzed cross-coupling. The compound's defined regiochemistry and consistent reactivity make it suitable for applications requiring precise functionalization of aromatic systems. Proper handling and storage are recommended to maintain its integrity.
2,6-Dimethylfluorobenzene structure
2,6-Dimethylfluorobenzene structure
Product Name:2,6-Dimethylfluorobenzene
CAS No:443-88-9
MF:C8H9F
MW:124.155465841293
MDL:MFCD00039215
CID:37407
PubChem ID:24868732
Update Time:2025-10-24

2,6-Dimethylfluorobenzene Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-1,3-dimethylbenzene
    • Fluoroxylene3
    • Fluoromxylenedimethylfluorobenzene
    • 1,3-Dimethyl-2-fluorobenzene~2,6-Dimethylfluorobenzene
    • 1-FLUORO-2,6-DIMETHYLBENZENE
    • 2,6-Dimethyl fluorobenzene
    • 2-Fluoro-M-xylene
    • 2,6-Dimethylfluorobenzene
    • 443-88-9
    • DTXSID80196112
    • SCHEMBL130382
    • F0402
    • MFCD00039215
    • 2-fluoro-1,3-dimethyl-benzene
    • 3,5-dimethyl-4-fluorobenzene
    • 2-Fluoro-1,3-dimethylbenzene, 97%
    • R6M7WLY7AM
    • Benzene, 2-fluoro-1,3-dimethyl-
    • 2-fluoro-3-methyltoluene
    • AKOS005145671
    • 2-Fluoro-1,3-xylene
    • AM20040486
    • J-507513
    • EINECS 207-144-5
    • A7044
    • FT-0612440
    • 1,3-Dimethyl-2-fluorobenzene
    • CS-W013524
    • PS-11932
    • NS00043935
    • EN300-77736
    • BBL100905
    • DTXCID90118603
    • STL554699
    • DB-027696
    • 207-144-5
    • FF104388
    • MDL: MFCD00039215
    • Inchi: 1S/C8H9F/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
    • InChI Key: JTAUTNBVFDTYTI-UHFFFAOYSA-N
    • SMILES: FC1C(C)=CC=CC=1C
    • BRN: 1857413

Computed Properties

  • Exact Mass: 124.06900
  • Monoisotopic Mass: 124.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 80.6
  • 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: 2.8
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: Not available
  • Density: 0.988?g/mL?at 25?°C(lit.)
  • Melting Point: 147-148 °C
  • Boiling Point: 167°C(lit.)
  • Flash Point: Fahrenheit: 87.8 ° f
    Celsius: 31 ° c
  • Refractive Index: n20/D 1.479(lit.)
  • Water Partition Coefficient: Not miscible or difficult to mix in water.
  • PSA: 0.00000
  • LogP: 2.44250
  • FEMA: 3295
  • Solubility: Not available

2,6-Dimethylfluorobenzene Security Information

2,6-Dimethylfluorobenzene 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%

2,6-Dimethylfluorobenzene Pricemore >>

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Additional information on 2,6-Dimethylfluorobenzene

2,6-Dimethylfluorobenzene (CAS No. 443-88-9): An Overview of Its Properties, Applications, and Recent Research

2,6-Dimethylfluorobenzene (CAS No. 443-88-9) is a versatile organic compound that has gained significant attention in the fields of chemistry, materials science, and pharmaceuticals. This compound is characterized by its unique molecular structure, which includes a fluorine atom and two methyl groups attached to a benzene ring. The combination of these functional groups imparts distinct chemical and physical properties that make 2,6-Dimethylfluorobenzene a valuable intermediate in various synthetic processes.

The molecular formula of 2,6-Dimethylfluorobenzene is C8H9F, and its molecular weight is approximately 126.15 g/mol. The compound is a colorless liquid at room temperature with a characteristic aromatic odor. It has a boiling point of around 157°C and a melting point of -37°C. These physical properties make it suitable for use in a wide range of applications, from laboratory research to industrial processes.

In terms of chemical reactivity, 2,6-Dimethylfluorobenzene exhibits typical aromatic behavior. The presence of the fluorine atom enhances the electron-withdrawing effect, making the benzene ring more susceptible to electrophilic aromatic substitution reactions. This property is particularly useful in the synthesis of complex organic molecules and pharmaceutical intermediates. Additionally, the two methyl groups provide steric hindrance and electronic effects that can influence the reactivity and selectivity of the compound in various reactions.

One of the key applications of 2,6-Dimethylfluorobenzene is in the synthesis of fluoroaromatic compounds. Fluoroaromatics are important building blocks in the pharmaceutical industry due to their ability to modulate biological activity and improve drug efficacy. For example, recent studies have shown that fluoroaromatic compounds can enhance the potency and selectivity of drugs targeting specific receptors or enzymes. This has led to increased interest in using 2,6-Dimethylfluorobenzene as a starting material for the development of novel therapeutic agents.

Beyond pharmaceuticals, 2,6-Dimethylfluorobenzene finds applications in materials science and polymer chemistry. The unique electronic properties of fluoroaromatic compounds make them suitable for use in the synthesis of advanced materials with enhanced thermal stability, mechanical strength, and chemical resistance. For instance, fluoroaromatic monomers can be polymerized to form high-performance polymers used in coatings, adhesives, and electronic devices.

In recent years, there has been growing interest in the environmental impact of chemical compounds used in industrial processes. Research has focused on developing more sustainable and eco-friendly methods for synthesizing fluoroaromatics like 2,6-Dimethylfluorobenzene. One notable approach involves using catalytic systems that minimize waste generation and energy consumption. For example, studies have demonstrated the effectiveness of heterogeneous catalysts in facilitating the selective fluorination of aromatic compounds under mild conditions.

The safety profile of 2,6-Dimethylfluorobenzene is an important consideration for both laboratory and industrial applications. While it is generally considered safe when handled properly, appropriate precautions should be taken to avoid inhalation or skin contact. Safety data sheets (SDS) provide detailed information on handling procedures and emergency response measures to ensure safe use.

In conclusion, 2,6-Dimethylfluorobenzene (CAS No. 443-88-9) is a multifaceted compound with a wide range of applications in chemistry, materials science, and pharmaceuticals. Its unique molecular structure and favorable chemical properties make it an invaluable intermediate in various synthetic processes. Ongoing research continues to uncover new possibilities for its use in developing advanced materials and therapeutic agents, further solidifying its importance in modern scientific endeavors.

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