Cas no 121219-25-8 (1,3-Difluoro-5-pentylbenzene)

1,3-Difluoro-5-pentylbenzene structure
1,3-Difluoro-5-pentylbenzene structure
Product Name:1,3-Difluoro-5-pentylbenzene
CAS No:121219-25-8
MF:C11H14F2
MW:184.225670337677
MDL:MFCD12407318
CID:98508
PubChem ID:15751978
Update Time:2025-07-18

1,3-Difluoro-5-pentylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1,3-Difluoro-5-pentylbenzene
    • 1-PENTYL-3,5-DIFLUOROBENZENE
    • Benzene,1,3-difluoro-5-pentyl-
    • 3,5-difluoro-1-pentylbenzene
    • 5-pentyl-1,3-difluorobenzene
    • ,3-Difluoro-5-pentylbenzene
    • YDJZPOPHPSWRQV-UHFFFAOYSA-N
    • DTXSID70577996
    • SB66369
    • CS-0454676
    • FT-0687682
    • DS-13544
    • Benzene, 1,3-difluoro-5-pentyl-
    • SCHEMBL9243315
    • AKOS015843208
    • 121219-25-8
    • DB-061889
    • MFCD12407318
    • MDL: MFCD12407318
    • Inchi: 1S/C11H14F2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8H,2-5H2,1H3
    • InChI Key: YDJZPOPHPSWRQV-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)CCCCC)F

Computed Properties

  • Exact Mass: 184.10600
  • Monoisotopic Mass: 184.10635677g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 126
  • 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: 4.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.022
  • Boiling Point: 197.2 °C at 760 mmHg
  • Flash Point: 197.2 °C at 760 mmHg
  • Refractive Index: 1.463
  • PSA: 0.00000
  • LogP: 3.69750

1,3-Difluoro-5-pentylbenzene 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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1,3-Difluoro-5-pentylbenzene Related Literature

Additional information on 1,3-Difluoro-5-pentylbenzene

1,3-Difluoro-5-pentylbenzene: An Overview of a Versatile Organic Compound (CAS No. 121219-25-8)

1,3-Difluoro-5-pentylbenzene (CAS No. 121219-25-8) is a unique and versatile organic compound that has garnered significant attention in recent years due to its potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its aromatic ring structure substituted with two fluorine atoms at the 1 and 3 positions and a pentyl group at the 5 position. The combination of these functional groups imparts distinct chemical and physical properties, making it a valuable building block in the development of advanced materials and pharmaceuticals.

The synthesis of 1,3-difluoro-5-pentylbenzene typically involves multistep processes that require precise control over reaction conditions to achieve high yields and purity. One common synthetic route involves the substitution of a halogenated precursor with fluorine atoms followed by the introduction of the pentyl group. Recent advancements in catalytic methods have significantly improved the efficiency and selectivity of these reactions, reducing the environmental impact and cost associated with large-scale production.

In the realm of pharmaceutical research, 1,3-difluoro-5-pentylbenzene has shown promise as a key intermediate in the synthesis of novel drugs. The presence of fluorine atoms can enhance the metabolic stability and bioavailability of drug molecules, while the pentyl group can influence their lipophilicity and solubility. These properties are crucial for optimizing drug delivery and efficacy. For instance, a recent study published in the Journal of Medicinal Chemistry demonstrated that derivatives of 1,3-difluoro-5-pentylbenzene exhibited potent anti-inflammatory activity with reduced side effects compared to existing drugs.

Beyond pharmaceuticals, 1,3-difluoro-5-pentylbenzene has found applications in materials science. Its unique electronic properties make it an attractive candidate for use in organic electronics, such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). The fluorine atoms can modulate the electronic structure of the molecule, leading to improved charge transport properties and enhanced device performance. Research in this area is ongoing, with several studies focusing on optimizing the molecular design to achieve higher efficiency and stability.

The environmental impact of 1,3-difluoro-5-pentylbenzene is another important consideration. While the compound itself is not classified as hazardous, its production and use must adhere to strict environmental regulations to minimize any potential risks. Green chemistry principles are increasingly being applied to the synthesis of this compound to ensure sustainable practices. For example, researchers at a leading university have developed a novel catalytic system that reduces waste generation and energy consumption during the synthesis process.

In conclusion, 1,3-difluoro-5-pentylbenzene (CAS No. 121219-25-8) is a multifaceted compound with a wide range of applications in pharmaceuticals, materials science, and chemical synthesis. Its unique chemical structure provides a foundation for developing innovative solutions across various industries. Ongoing research continues to uncover new possibilities for this compound, further solidifying its importance in modern chemistry.

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