Cas no 63462-98-6 (Phosphonium, tetrapropyl-, bromide)

Tetrapropylphosphonium bromide is a quaternary phosphonium salt with the chemical formula (C?H?)?P?Br?. This compound is characterized by its stable phosphonium cation and bromide counterion, making it useful in various chemical applications, including phase-transfer catalysis and ionic liquid synthesis. Its tetrapropyl structure enhances solubility in organic solvents while maintaining thermal stability. The bromide anion facilitates nucleophilic substitution reactions, broadening its utility in organic synthesis. The compound’s well-defined structure and high purity make it suitable for research and industrial processes requiring precise control over reaction conditions. Its compatibility with diverse reagents underscores its versatility in synthetic chemistry.
Phosphonium, tetrapropyl-, bromide structure
63462-98-6 structure
Product Name:Phosphonium, tetrapropyl-, bromide
CAS No:63462-98-6
MF:C12H28BrP
MW:283.228484153748
CID:1652384
PubChem ID:329768869
Update Time:2025-06-13

Phosphonium, tetrapropyl-, bromide Chemical and Physical Properties

Names and Identifiers

    • Phosphonium, tetrapropyl-, bromide
    • tetrapropylphosphanium,bromide
    • tetra (n-propyl)phosphonium bromide
    • tetrapropylphosphanium;bromide
    • SCHEMBL808510
    • 63462-98-6
    • DTXSID90451865
    • SMGSPBKMKYMJPQ-UHFFFAOYSA-M
    • starbld0011832
    • Tetrapropylphosphonium bromide, 95%
    • Tetrapropylphosphonium bromide
    • Inchi: 1S/C12H28P.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
    • InChI Key: SMGSPBKMKYMJPQ-UHFFFAOYSA-M
    • SMILES: [Br-].[P+](CCC)(CCC)(CCC)CCC

Computed Properties

  • Exact Mass: 253.8921
  • Monoisotopic Mass: 282.11120g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 80.2
  • 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
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Melting Point: 221-226?°C
  • PSA: 0

Phosphonium, tetrapropyl-, bromide Security Information

  • Hazardous Material transportation number:NONH for all modes of transport

Phosphonium, tetrapropyl-, bromide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
804428-500MG
Tetrapropylphosphonium bromide
63462-98-6 95%
500MG
¥687.8 2022-02-24

Additional information on Phosphonium, tetrapropyl-, bromide

Phosphonium, tetrapropyl-, bromide (CAS No. 63462-98-6): A Comprehensive Overview

Phosphonium, tetrapropyl-, bromide, identified by the chemical identifier CAS No. 63462-98-6, is a compound of significant interest in the field of organic chemistry and pharmaceutical research. This organophosphorus compound has garnered attention due to its unique structural properties and its potential applications in various chemical processes. The tetrapropylphosphonium cation serves as a versatile intermediate in the synthesis of more complex molecules, while the bromide anion contributes to its reactivity and solubility characteristics.

The compound's molecular structure consists of a central phosphorus atom coordinated to four propyl groups, forming the tetrapropylphosphonium cation. This cation is stabilized by the electron-donating nature of the alkyl groups, which enhances its stability and reactivity in various chemical transformations. The bromide anion, on the other hand, provides a counterbalance to the positive charge of the cation, ensuring the compound's overall stability and facilitating its use in aqueous and organic solvents alike.

In recent years, Phosphonium, tetrapropyl-, bromide has found applications in the synthesis of liquid crystals and phosphorescent materials. Its ability to form stable complexes with various anions makes it an excellent candidate for use in advanced material science applications. For instance, researchers have explored its utility in the development of novel organic light-emitting diodes (OLEDs), where its luminescent properties contribute to enhanced efficiency and performance.

Moreover, the compound has been investigated for its role in catalytic processes. The tetrapropylphosphonium cation can act as a phase-transfer catalyst, facilitating reactions that would otherwise be difficult to achieve under conventional conditions. This capability is particularly valuable in pharmaceutical synthesis, where efficient and selective transformations are crucial for producing active pharmaceutical ingredients (APIs). Recent studies have demonstrated its effectiveness in promoting C-C coupling reactions, which are fundamental to constructing complex molecular architectures.

The pharmaceutical industry has also shown interest in Phosphonium, tetrapropyl-, bromide due to its potential as a precursor for bioactive molecules. Researchers have utilized it in the synthesis of phosphine-based ligands that are used in transition metal catalysis. These ligands are essential for mediating various biochemical reactions, including hydrogenation and cross-coupling reactions that are pivotal in drug development. The compound's stability under a wide range of conditions makes it a reliable choice for such applications.

Additionally, Phosphonium, tetrapropyl-, bromide has been employed in the field of polymer chemistry. Its incorporation into polymer matrices can enhance thermal stability and electrical conductivity, making it useful for developing advanced materials for electronics and energy storage devices. The ability of this compound to form stable ionic liquids has also been explored, where it serves as a solvent or medium for various chemical reactions.

In academic research, Phosphonium, tetrapropyl-, bromide has been used as a reference standard for analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. Its well-characterized structure allows researchers to calibrate instruments and validate methods with high precision. This has been particularly important in ensuring the accuracy of analytical results in pharmaceutical quality control and environmental monitoring.

The environmental impact of using Phosphonium, tetrapropyl-, bromide has also been studied. Research indicates that when handled properly, it does not pose significant environmental hazards. However, like many synthetic chemicals, its disposal requires careful consideration to prevent contamination of water sources or soil. Efforts are ongoing to develop sustainable practices for its synthesis and application that minimize environmental impact while maintaining efficacy.

Future research directions for Phosphonium, tetrapropyl-, bromide include exploring its potential in green chemistry initiatives. By developing more efficient synthetic routes that reduce waste and energy consumption, scientists aim to make this compound even more environmentally friendly. Additionally, investigating new applications in nanotechnology and biomedicine could unlock further possibilities for this versatile compound.

In conclusion, Phosphonium, tetrapropyl-, bromide (CAS No. 63462-98-6) is a multifaceted compound with broad applications across multiple scientific disciplines. Its unique structural properties make it invaluable in material science, catalysis, pharmaceutical synthesis, and polymer chemistry. As research continues to uncover new uses for this compound, its importance is likely to grow further, contributing significantly to advancements in science and technology.

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