Cas no 42036-78-2 (Octyltriphenylphosphonium Bromide)

Octyltriphenylphosphonium Bromide is a quaternary phosphonium salt with the chemical formula C??H??P?Br?. It is widely utilized as a phase-transfer catalyst (PTC) in organic synthesis due to its ability to facilitate reactions between immiscible phases. The compound's lipophilic octyl group enhances solubility in organic media, while the triphenylphosphonium moiety ensures effective interfacial activity. Its stability under various reaction conditions makes it suitable for applications in nucleophilic substitutions, oxidations, and polymerizations. Additionally, Octyltriphenylphosphonium Bromide exhibits consistent performance in both industrial and laboratory settings, offering reliable catalytic efficiency. Its well-defined structure and high purity further contribute to reproducible results in synthetic processes.
Octyltriphenylphosphonium Bromide structure
42036-78-2 structure
Product Name:Octyltriphenylphosphonium Bromide
CAS No:42036-78-2
MF:C26H32BrP
MW:455.410047531128
MDL:MFCD00051874
CID:89495
PubChem ID:3084855
Update Time:2025-05-19

Octyltriphenylphosphonium Bromide Chemical and Physical Properties

Names and Identifiers

    • n-Octyl triphenylphosphonium bromide
    • (1-Octyl)triphenylphosphonium bromide
    • Capryltriphenylphosphonium bromide
    • octyl(triphenyl)phosphanium,bromide
    • Octyltriphenylphosphonium Bromide
    • EINECS 255-635-8
    • H17C8PPh3Br
    • NS00057581
    • AKOS025402665
    • MFCD00051874
    • AMY38111
    • n-octyltriphenylphosphonium bromide
    • DTXSID10962221
    • n-octyl-triphenylphosphonium bromide
    • F10033
    • SCHEMBL635580
    • octyl(triphenyl)phosphanium bromide
    • Octyltriphenylphosphoniumbromide
    • OBLXVLWZBMAMHE-UHFFFAOYSA-M
    • 42036-78-2
    • octyl(triphenyl)phosphanium;bromide
    • FT-0604998
    • OCTYLTRIPHENYLPHOSPHANIUM BROMIDE
    • MDL: MFCD00051874
    • Inchi: 1S/C26H32P.BrH/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;/h7-15,17-22H,2-6,16,23H2,1H3;1H/q+1;/p-1
    • InChI Key: OBLXVLWZBMAMHE-UHFFFAOYSA-M
    • SMILES: [Br-].[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CCCCCCCC
    • BRN: 3642460

Computed Properties

  • Exact Mass: 454.14200
  • Monoisotopic Mass: 454.143
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 10
  • Complexity: 326
  • Covalently-Bonded Unit Count: 2
  • 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: nothing
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: solid
  • Melting Point: 61-63°C
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Solubility: Chloroform, DCM. Methanol, THF
  • PSA: 13.59000
  • LogP: 3.34500
  • Solubility: Not determined
  • Sensitiveness: Hygroscopic

Octyltriphenylphosphonium Bromide Security Information

Octyltriphenylphosphonium Bromide Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

Octyltriphenylphosphonium Bromide Pricemore >>

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Octyltriphenylphosphonium Bromide Production Method

Additional information on Octyltriphenylphosphonium Bromide

Introduction to Octyltriphenylphosphonium Bromide (CAS No. 42036-78-2)

Octyltriphenylphosphonium bromide, a compound with the chemical formula C26H31BrP, is a significant chemical entity in the field of pharmaceuticals and materials science. This organophosphorus compound is widely recognized for its utility as a phase-transfer catalyst and an intermediate in the synthesis of various organic and inorganic compounds. The CAS number 42036-78-2 uniquely identifies this substance, ensuring precise classification and communication within the scientific community.

The structure of Octyltriphenylphosphonium bromide consists of a phosphonium cation, which is formed by the reaction of triphenylphosphine with an octyl halide, and a bromide anion. This arrangement imparts unique physicochemical properties to the compound, making it highly soluble in both polar and nonpolar solvents. Such solubility characteristics are particularly advantageous in facilitating reactions that require homogeneous environments, thereby enhancing reaction efficiency and yield.

In recent years, Octyltriphenylphosphonium bromide has garnered considerable attention in the development of novel drug delivery systems. Its ability to form stable complexes with various biomolecules has opened up avenues for creating targeted therapeutic agents. For instance, studies have demonstrated its potential in enhancing the permeability of cell membranes, thereby improving the bioavailability of drugs. This property is especially relevant in the context of oral and transdermal drug formulations, where efficient membrane penetration is crucial.

Moreover, the compound has been explored as a component in advanced materials science applications. Its role as a phase-transfer catalyst has been pivotal in polymerization reactions, where it aids in the formation of high-molecular-weight polymers with specific architectures. These polymers find applications in coatings, adhesives, and even in high-performance plastics. The versatility of Octyltriphenylphosphonium bromide underscores its importance not only in pharmaceuticals but also in industrial chemistry.

Recent research has also highlighted the compound's significance in energy storage systems. Specifically, its use as an electrolyte additive in lithium-ion batteries has shown promising results. The phosphonium cation can stabilize electrolyte solutions, reducing degradation and improving battery lifespan. This application aligns with the growing demand for sustainable energy solutions, making Octyltriphenylphosphonium bromide a valuable candidate for future energy technologies.

The synthesis of Octyltriphenylphosphonium bromide typically involves a nucleophilic substitution reaction between triphenylphosphine and an octyl halide in the presence of a base. This reaction is optimized under controlled conditions to ensure high yield and purity. The process highlights the compound's synthetic utility and underscores its importance as a building block in organic chemistry.

In conclusion, Octyltriphenylphosphonium bromide (CAS No. 42036-78-2) is a multifaceted compound with extensive applications across pharmaceuticals, materials science, and energy storage. Its unique properties as a phase-transfer catalyst and membrane-permeabilizing agent make it indispensable in modern chemical research. As scientific understanding progresses, it is anticipated that new applications for this compound will continue to emerge, further solidifying its role as a cornerstone in industrial and academic chemistry.

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