Cas no 1571-86-4 (1,4-Di-N-butylbenzene)

1,4-Di-N-butylbenzene is a dialkylbenzene compound characterized by its two n-butyl substituents positioned at the para positions of a benzene ring. This organic intermediate exhibits notable stability and hydrophobic properties, making it suitable for applications in specialty solvents, lubricant additives, and polymer synthesis. Its symmetrical structure contributes to consistent reactivity in alkylation and other chemical processes. The compound's relatively high boiling point and low polarity enhance its utility in high-temperature formulations. Additionally, 1,4-Di-N-butylbenzene serves as a precursor in the synthesis of more complex aromatic derivatives, offering predictable performance in controlled reactions. Its purity and structural uniformity are critical for precision applications in research and industrial chemistry.
1,4-Di-N-butylbenzene structure
1,4-Di-N-butylbenzene structure
Product Name:1,4-Di-N-butylbenzene
CAS No:1571-86-4
MF:C14H22
MW:190.324484348297
MDL:MFCD01076591
CID:163145
PubChem ID:87569180
Update Time:2025-06-11

1,4-Di-N-butylbenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,4-dibutyl-
    • 1,4-Dibutylbenzene
    • 1,4-Di-n-butylbenzene
    • p-Dibutylbenzol
    • DTXSID20166213
    • FT-0606894
    • 1571-86-4
    • BS-21565
    • A809819
    • D90114
    • BAA57186
    • D2781
    • MFCD01076591
    • Benzene, 1,4-dibutyl
    • AKOS027378698
    • VGQOZYOOFXEGDA-UHFFFAOYSA-N
    • p-Dibutylbenzene
    • CS-0207327
    • 5-ALPHA-ANDROSTAN-17-BETA-OL-3-ONEGLUCOSIDURONATE
    • 1,4-Di-N-butylbenzene
    • MDL: MFCD01076591
    • Inchi: 1S/C14H22/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h9-12H,3-8H2,1-2H3
    • InChI Key: VGQOZYOOFXEGDA-UHFFFAOYSA-N
    • SMILES: C(C1C=CC(=CC=1)CCCC)CCC

Computed Properties

  • Exact Mass: 190.17200
  • Monoisotopic Mass: 190.172151
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 104
  • 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: 5.7
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Not determined
  • Density: 0,856 g/cm3
  • Melting Point: -31--30°C
  • Boiling Point: 97-99°C 3mm
  • Flash Point: 110°(230°F)
  • Refractive Index: 1.4890
  • PSA: 0.00000
  • LogP: 4.37180
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.3 mmHg at 25°C

1,4-Di-N-butylbenzene Customs Data

  • HS CODE:2902909090
  • Customs Data:

    China Customs Code:

    2902909090

    Overview:

    2902909090. Other aromatic hydrocarbons. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:2.0%. general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902909090 other aromatic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

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1,4-Di-N-butylbenzene Production Method

1,4-Di-N-butylbenzene Related Literature

Additional information on 1,4-Di-N-butylbenzene

Introduction to 1,4-Di-N-butylbenzene (CAS No. 1571-86-4)

1,4-Di-N-butylbenzene, with the chemical formula C??H?? and CAS number 1571-86-4, is an organic compound belonging to the class of alkylated benzenes. This compound is characterized by its symmetrical structure, where two butyl groups are attached to the 1 and 4 positions of a benzene ring. Its molecular symmetry not only contributes to its unique physicochemical properties but also makes it a subject of interest in various chemical and pharmaceutical applications.

The synthesis of 1,4-Di-N-butylbenzene typically involves the alkylation of benzene using n-butyl halides or Grignard reagents in the presence of a suitable catalyst. The choice of catalyst and reaction conditions can significantly influence the yield and purity of the product. Advanced catalytic systems, such as zeolite-based catalysts, have been explored to enhance the selectivity and efficiency of this alkylation process, aligning with the growing demand for sustainable chemical manufacturing practices.

In recent years, 1,4-Di-N-butylbenzene has garnered attention in the field of materials science due to its potential as a precursor for high-performance polymers and liquid crystals. The bulky butyl groups attached to the benzene ring contribute to its rigid structure, making it a valuable building block for materials requiring thermal stability and mechanical strength. Researchers have been investigating its incorporation into polymer matrices to improve flame retardancy and thermal resistance, which are critical properties in aerospace and automotive applications.

Beyond materials science, 1,4-Di-N-butylbenzene has shown promise in pharmaceutical research. Its structural motif is reminiscent of certain bioactive molecules, prompting studies into its potential as an intermediate in drug development. Specifically, derivatives of this compound have been examined for their interactions with biological targets, such as enzymes and receptors. While no direct therapeutic applications have been commercialized yet, these preliminary studies highlight its potential utility in designing novel pharmacophores.

The chemical behavior of 1,4-Di-N-butylbenzene is also influenced by its symmetry and electronic distribution. The presence of two electron-donating butyl groups enhances the nucleophilicity of the benzene ring, making it more susceptible to electrophilic aromatic substitution reactions. This property has been exploited in synthetic chemistry to introduce additional functional groups at specific positions on the benzene core, expanding its utility as a versatile intermediate.

From an environmental perspective, understanding the degradation pathways of 1,4-Di-N-butylbenzene is crucial for assessing its ecological impact. Studies using computational modeling and experimental techniques have revealed that this compound undergoes slow biodegradation under aerobic conditions due to the stability conferred by its alkylated structure. However, under anaerobic conditions or in the presence of specific microbial consortia, it can be metabolized more efficiently. These findings are essential for developing appropriate disposal methods and preventing environmental accumulation.

The industrial production of 1,4-Di-N-butylbenzene must adhere to stringent quality control measures to ensure consistency and purity. Analytical techniques such as gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance (NMR) spectroscopy are routinely employed to verify the compound's identity and quantify impurities. Advances in analytical chemistry have enabled higher precision in these measurements, which is critical for applications where even minor impurities could affect performance.

Future research directions for 1,4-Di-N-butylbenzene may focus on developing greener synthetic routes and exploring new applications in nanotechnology. For instance, its ability to self-assemble into ordered structures could make it useful in creating organic semiconductors or sensors. Additionally, modifications to its molecular architecture might unlock novel properties suitable for optoelectronic devices or advanced coatings.

In summary,1,4-Di-N-butylbenzene (CAS No. 1571-86-4) is a multifaceted compound with significant potential across multiple industries. Its unique structural features make it valuable in materials science, pharmaceutical research, and synthetic chemistry. As scientific understanding advances,this compound will likely continue to play a pivotal role in innovation,driving progress toward more efficient,sustainable,and high-performance technologies.

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