Hexyl-dioxido-oxo-lambda5-phosphane

Base Information

• Chemical Name: Hexyl-dioxido-oxo-lambda5-phosphane
• CAS No.: 4721-24-8
• Molecular Formula: C6H15O3P
• Molecular Weight: 166.157
• Mol file: 4721-24-8.mol

Synonyms:NSC 222656;AKOS015918276

Chemical Property of Hexyl-dioxido-oxo-lambda5-phosphane

Chemical Property:

• Vapor Pressure: 0.000278mmHg at 25°C
• Melting Point: 108-110 °C
• Boiling Point: 299.7 °C at 760 mmHg
• PKA: 2.66±0.10(Predicted)
• Flash Point: 135 °C
• PSA: 67.34000
• Density: 1.132 g/cm³
• LogP: 1.74440
• Solubility.: soluble in Methanol
• Water Solubility.: Insoluble in water.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 164.06023127
• Heavy Atom Count: 10
• Complexity: 107

Purity/Quality:

99.9% ^*data from raw suppliers

Hexylphosphonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:; R34:; R43:; R48/22:
• Hazard Codes: C:Corrosive
• Statements: R22:; R34:; R43:; R48/22:
• Safety Statements: S1/2:; S22:; S26:; S36/37/39:; S45:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCP(=O)([O-])[O-]
• Uses: n-Hexylphosphonic acid is used in the manufacturing of nanoparticles such as quantum dots, nano-metals and nano-ceramics. It is also used for coating of many materials, including nanoparticles by condensed hydrophobic monolayers.

Technology Process of Hexyl-dioxido-oxo-lambda5-phosphane

There total 13 articles about Hexyl-dioxido-oxo-lambda5-phosphane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

diethyl hexylphosphonate (16165-66-5) → n-hexylphosphonic acid (4721-24-8)

Guidance literature:

With trimethylsilyl bromide; In methanol; dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1002/pola.26339

Reference yield: 61.0%

1-bromo-hexane (111-25-1) → n-hexylphosphonic acid (4721-24-8)

Guidance literature:

1-bromo-hexane; With potassium hydroxide semihydrate; phosphorus; cetyltrimethylammonim bromide; In water; toluene; at 85 - 90 ℃; for 6h; Inert atmosphere;

With nitric acid; In water; at 100 - 110 ℃; for 2h; pH=4; Inert atmosphere;

DOI:10.1002/ejoc.202100067

Reference yield:

1-bromo-hexane (111-25-1) + triethyl phosphite (122-52-1) → n-hexylphosphonic acid (4721-24-8)

Guidance literature:

1-bromo-hexane; triethyl phosphite; at 150 ℃; for 5h; Large scale;

With hydrogenchloride; In water; at 60 ℃; for 10h; Large scale;

upstream raw materials:

dibutyl hexylphosphonate

1-hexene

hexylphosphonic acid dichloride

Hexyl-phosphonsaeure-dimethylester

Downstream raw materials:

diethyl hexylphosphonate

1-hexene

hexane

Refernces

• 1、 -. "Novel n-hexylphosphonic acid preparation method". Paragraph 0031-0036. . Retrieved 2018/10/11.