Diheptyl ethylphosphonate

Base Information

• Chemical Name: Diheptyl ethylphosphonate
• CAS No.: 6163-81-1
• Molecular Formula: C16H35O3P
• Molecular Weight: 306.4211
• NSC Number: 133036
• DSSTox Substance ID: DTXSID10299822
• Nikkaji Number: J192.700K
• Wikidata: Q82042489
• Mol file: 6163-81-1.mol

Synonyms:6163-81-1;Diheptyl ethylphosphonate;Diheptyl ethylphosphonate #;DTXSID10299822;RBPHHEPCSXTUGB-UHFFFAOYSA-N;ethyl-phosphonic acid diheptyl ester;Ethylphosphonic acid, diheptyl ester;NSC133036;NSC-133036

Chemical Property of Diheptyl ethylphosphonate

Chemical Property:

• Vapor Pressure: 1.24E-05mmHg at 25°C
• Boiling Point: 379.9°C at 760 mmHg
• Flash Point: 197.1°C
• Density: 0.929g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 306.23238197
• Heavy Atom Count: 20
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOP(=O)(CC)OCCCCCCC

Technology Process of Diheptyl ethylphosphonate

There total 2 articles about Diheptyl ethylphosphonate 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:

n-heptan1ol (111-70-6) → Ethyl-phosphonic acid diheptyl ester (6163-81-1)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

2: (i) Na, (ii) /BRN= 505934/

With trichlorophosphate;

DOI:10.1039/j19660000249

Reference yield:

diheptyl phosphite (6163-90-2) + ethyl iodide (75-03-6) → Ethyl-phosphonic acid diheptyl ester (6163-81-1)

Guidance literature:

Multistep reaction; (i) Na, (ii) /BRN= 505934/;

DOI:10.1039/j19660000249

upstream raw materials:

diheptyl phosphite

ethyl iodide

n-heptan1ol