Phosphonic acid, (6-(4-chlorophenoxy)hexyl)-, diethyl ester

Base Information

• Chemical Name: Phosphonic acid, (6-(4-chlorophenoxy)hexyl)-, diethyl ester
• CAS No.: 89210-96-8
• Molecular Formula: C₁₆H₂₆ClO₄P
• Molecular Weight: 348.807
• ChEMBL ID: CHEMBL159577
• DSSTox Substance ID: DTXSID301008717
• Wikidata: Q83005263

Synonyms:89210-96-8;Phosphonic acid, (6-(4-chlorophenoxy)hexyl)-, diethyl ester;Phosphonic acid, [6-(4-chlorophenoxy)hexyl]-, diethyl ester;1-chloro-4-(6-diethoxyphosphorylhexoxy)benzene;CHEMBL159577;DTXSID301008717;Diethyl [6-(4-chlorophenoxy)hexyl]phosphonate

Chemical Property of Phosphonic acid, (6-(4-chlorophenoxy)hexyl)-, diethyl ester

Chemical Property:

• Vapor Pressure: 7.46E-08mmHg at 25°C
• Boiling Point: 449.7°Cat760mmHg
• Flash Point: 367.7°C
• Density: 1.122g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 348.1257240
• Heavy Atom Count: 22
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(CCCCCCOC1=CC=C(C=C1)Cl)OCC

Technology Process of Phosphonic acid, (6-(4-chlorophenoxy)hexyl)-, diethyl ester

There total 1 articles about Phosphonic acid, (6-(4-chlorophenoxy)hexyl)-, diethyl ester 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: 63.0%

1-((6-bromohexyl)oxy)-4-chlorobenzene (37136-99-5) + triethyl phosphite (122-52-1) → [6-(4-Chloro-phenoxy)-hexyl]-phosphonic acid diethyl ester (89210-96-8)

Guidance literature:

at 180 - 190 ℃; for 2h;

DOI:10.1021/jm00371a024

upstream raw materials:

1-((6-bromohexyl)oxy)-4-chlorobenzene

triethyl phosphite

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