O-Ethyl O,O-bis(4-nitrophenyl) phosphorate

Base Information

• Chemical Name: O-Ethyl O,O-bis(4-nitrophenyl) phosphorate
• CAS No.: 905-14-6
• Molecular Formula: C14H13N2O8P
• Molecular Weight: 368.24
• DSSTox Substance ID: DTXSID20238181
• Nikkaji Number: J1.145.359G
• Wikidata: Q83120445
• ChEMBL ID: CHEMBL301733
• Mol file: 905-14-6.mol

Synonyms:O-ETHYL O,O-BIS(4-NITROPHENYL) PHOSPHORATE;905-14-6;ethyl bis(4-nitrophenyl) phosphate;CHEMBL301733;SCHEMBL6259754;DTXSID20238181;bis(4-nitrophenyl) ethyl phosphate;Phosphoric acid bis(4-nitrophenyl)ethyl ester;Phosphoric acid, ethyl bis(p-nitrophenyl) ester;Phosphoric acid, ethyl bis(4-nitrophenyl) ester

Chemical Property of O-Ethyl O,O-bis(4-nitrophenyl) phosphorate

Chemical Property:

• Vapor Pressure: 3.93E-09mmHg at 25°C
• Melting Point: 135 °C
• Boiling Point: 486.2°Cat760mmHg
• Flash Point: 247.8°C
• PSA: 146.21000
• Density: 1.458g/cm³
• LogP: 5.15180
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 368.04095237
• Heavy Atom Count: 25
• Complexity: 464

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of O-Ethyl O,O-bis(4-nitrophenyl) phosphorate

There total 6 articles about O-Ethyl O,O-bis(4-nitrophenyl) phosphorate 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: 90.0%

ethanol (64-17-5) + tris(p-nitrophenyl)phosphate (3871-20-3) → bis(4-nitrophenyl) ethyl phosphate (905-14-6)

Guidance literature:

for 24h; Heating;

DOI:10.1246/bcsj.54.2072

Reference yield: 22.0%

ethyl phosphodichloridite (1498-51-7) + 4-nitrophenol sodium salt (824-78-2) → bis(4-nitrophenyl) ethyl phosphate (905-14-6)

Guidance literature:

In 1,4-dioxane; N,N-dimethyl-formamide; acetonitrile; for 0.5h;

Reference yield:

4-(4-nitrophenoxy)butanoic acid (28341-54-0) + sodium ethanolate (141-52-6) → bis(4-nitrophenyl) ethyl phosphate (905-14-6)

Guidance literature:

With 1,4-dioxane; ethanol; trichlorophosphate;

DOI:10.1021/ja01168a532

upstream raw materials:

4-(4-nitrophenoxy)butanoic acid

sodium ethanolate

ethanol

tris(p-nitrophenyl)phosphate

Downstream raw materials:

triethyl phosphate

p-nitrophenolate

4-nitrophenyl ethyl phosphate anion

4-nitro-phenol