Ethyl (4-nitrophenyl) phosphate

Base Information

• Chemical Name: Ethyl (4-nitrophenyl) phosphate
• CAS No.: 17659-67-5
• Molecular Formula: C8H9NO6P-
• Molecular Weight: 247.144
• DSSTox Substance ID: DTXSID80170159
• Nikkaji Number: J731.590B,J826.286A
• Wikidata: Q83040038
• Mol file: 17659-67-5.mol

Synonyms:Ethyl (4-nitrophenyl) phosphate;Phosphoric acid, monoethyl mono(4-nitrophenyl) ester;17659-67-5;ethyl (4-nitrophenyl) hydrogen phosphate;SCHEMBL2545948;DTXSID80170159;ethyl 4-nitro-phenyl hydrogenphosphate;ethyl 4-nitrophenyl hydrogen phosphate;[Phosphoric acid O-ethyl O-(4-nitrophenyl)]anion

Chemical Property of Ethyl (4-nitrophenyl) phosphate

Chemical Property:

• Vapor Pressure: 1.01E-06mmHg at 25°C
• Boiling Point: 388.3°Cat760mmHg
• Flash Point: 188.6°C
• Density: g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 247.02457404
• Heavy Atom Count: 16
• Complexity: 283

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl (4-nitrophenyl) phosphate

There total 18 articles about Ethyl (4-nitrophenyl) 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:

paraoxon (311-45-5) → mono-p-nitrophenyl phosphate (330-13-2) + ethyl p-nitrophenyl phosphate (17659-67-5)

Guidance literature:

CuCl₂*2H₂O; In methanol; water; pH=3.5 - 7.0; Kinetics;

DOI:10.1021/es960499q

Reference yield:

paraoxon (311-45-5) → Diethyl phosphate (598-02-7) + ethyl p-nitrophenyl phosphate (17659-67-5)

Guidance literature:

With (Zn(1,5,9-triazacyclododecane)(OH))⁽¹⁺⁾; In water-d2; acetonitrile; at 50 ℃; pH=8.1; Reagent/catalyst; Temperature; Kinetics;

DOI:10.1016/j.ica.2015.07.035

Reference yield:

paraoxon (311-45-5) + 1-butyl-3-methyl-imidazolium L-cysteinate → Diethyl phosphate (598-02-7) + ethyl p-nitrophenyl phosphate (17659-67-5) + C8H15N2(1+)*C9H9N2O4S(1-)

Guidance literature:

at 25 ℃; Kinetics;

DOI:10.1039/c8ob01928b

upstream raw materials:

2-Ethoxy-1,3-benzoxazol

Bis(p-nitrophenyl) phosphate

2,6-dimethylpyridine

Phosphorochloridic acid ethyl ester 4-nitro-phenyl ester

Downstream raw materials:

Phosphoric acid ethyl ester phenethyl ester

4-nitro-phenol

ethyl phosphate

ethanol