2,4-Dinitrophenyl diethyl phosphate

Base Information

• Chemical Name: 2,4-Dinitrophenyl diethyl phosphate
• CAS No.: 54436-53-2
• Molecular Formula: C10H13 N2 O8 P
• Molecular Weight: 320.196
• Hs Code.: 2919900090
• DSSTox Substance ID: DTXSID00202845
• Nikkaji Number: J246.276A
• Wikidata: Q83076172
• Mol file: 54436-53-2.mol

Synonyms:2,4-dinitrophenyl diethyl phosphate;DNDEP

Chemical Property of 2,4-Dinitrophenyl diethyl phosphate

Chemical Property:

• Vapor Pressure: 2.94E-06mmHg at 25°C
• Boiling Point: 400.5°C at 760 mmHg
• Flash Point: 196°C
• PSA: 146.21000
• Density: 1.432g/cm³
• LogP: 4.10930
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 320.04095237
• Heavy Atom Count: 21
• Complexity: 410

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,4-Dinitrophenyl diethyl phosphate

There total 1 articles about 2,4-Dinitrophenyl diethyl phosphate 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: 69.0%

2,4-Dinitrophenol (51-28-5) + diethyl chlorophosphate (814-49-3) → O,O-diethyl (2,4-dinitrophenyl) phosphate triester (54436-53-2)

Guidance literature:

With triethylamine; In benzene; Heating;

DOI:10.1021/jo00152a035

Reference yield: 35.0%

O,O-diethyl (2,4-dinitrophenyl) phosphate triester (54436-53-2) → 2,4-dinitrophenyl ethyl phosphate lithium salt (84175-82-6)

Guidance literature:

With lithium bromide; In acetone; for 3h; Heating;

DOI:10.1021/jo00152a035

Reference yield:

O,O-diethyl (2,4-dinitrophenyl) phosphate triester (54436-53-2) → diethyl phosphoric acid potassium salt (53971-30-5) + potassium 2,4-dinitrophenolate (14314-69-3)

Guidance literature:

With water; potassium nitrate; lanthanum(III) nitrate; at 25 ℃; Rate constant; Mechanism; var. pH;

DOI:10.1039/c39900000714

upstream raw materials:

2,4-Dinitrophenol

diethyl chlorophosphate

Downstream raw materials:

2,4-dinitrophenolate

N-(diethoxyphosphoryl)imidazolium ion

diethyl phosphoric acid potassium salt

potassium 2,4-dinitrophenolate

Refernces

• 1、 Almerindo, Gizelle I.,Buratto, Suelen C.,Caramori, Giovanni F.,Fiedler, Haidi D.,Medeiros, Michelle,Micke, Gustavo A.,Nicolazi, Lucas M.,Nome, Faruk,Parreira, Renato L. T.,Sangaletti, Patrícia,Schneider, Felipe S. S.,Wanderlind, Eduardo H.. "Kinetics and adsorption calculations: insights into the MgO-catalyzed detoxification of simulants of organophosphorus biocides". supporting information. p. 19011 - 19021. Retrieved 2020/10/02.
• 2、 Ba-Saif, Salem,Williams, Andrew. "Transfer of the Diethoxyphosphoryl Group between Imidazole and Aryloxy Anion Nucleophiles". . p. 2204 - 2209. Retrieved 2007/10/02.