Phosphonic acid, phenyl-, bis(p-nitrophenyl) ester

Base Information

• Chemical Name: Phosphonic acid, phenyl-, bis(p-nitrophenyl) ester
• CAS No.: 38873-91-5
• Molecular Formula: C18H13N2O7P
• Molecular Weight: 400.284
• DSSTox Substance ID: DTXSID10192127
• Nikkaji Number: J323I
• Wikidata: Q83064755
• Mol file: 38873-91-5.mol

Synonyms:Phosphonic acid, phenyl-, bis(p-nitrophenyl) ester;38873-91-5;Bis(p-nitrophenyl) phenylphosphonate;Phenylphosphonic acid bis(p-nitrophenyl) ester;1-nitro-4-[(4-nitrophenoxy)-phenylphosphoryl]oxybenzene;BRN 1895798;Bis(4-nitrophneyl phenylphosphonate;SCHEMBL548571;C18H13N2O7P;DTXSID10192127;Bis(p-nitrophenyl)phenylphosphonate;bis(p-nitro-phenyl) phenylphosphonate;C18-H13-N2-O7-P;Bis(4-nitrophenyl) phenylphosphonate #;Phenylphosphonic acid bis(p-nitrophenyl);LS-106736;phenylphosphonic acid bis-(4-nitrophenyl) ester;phenyl-phosphonic acid bis-(4-nitrophenyl) ester

Chemical Property of Phosphonic acid, phenyl-, bis(p-nitrophenyl) ester

Chemical Property:

• Vapor Pressure: 2.34E-12mmHg at 25°C
• Boiling Point: 568.6°Cat760mmHg
• Flash Point: 297.7°C
• PSA: 136.98000
• Density: 1.47g/cm³
• LogP: 5.52580
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 400.04603776
• Heavy Atom Count: 28
• Complexity: 544

Purity/Quality:

99% ^*data from raw suppliers

BIS(PARA-NITROPHENYL)PHENYLPHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)P(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of Phosphonic acid, phenyl-, bis(p-nitrophenyl) ester

There total 2 articles about Phosphonic acid, phenyl-, bis(p-nitrophenyl) 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: 33.0%

P,P-dichlorophenylphosphine oxide (824-72-6) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → bis(4-nitrophenyl) phenylphosphonate (38873-91-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 10h;

DOI:10.1021/acs.orglett.1c01211

Reference yield:

→ bis(4-nitrophenyl) phenylphosphonate (38873-91-5)

Guidance literature:

Phenylphosphonodichloridat, p-Nitrophenol;

Reference yield:

bis(4-nitrophenyl) phenylphosphonate (38873-91-5) + phenol (108-95-2,27073-41-2) → diphenyl phenylphosphonate (3049-24-9) + Phenyl-phosphonic acid 4-nitro-phenyl ester phenyl ester

Guidance literature:

In water; dimethyl sulfoxide; at 25 ℃; Rate constant; Mechanism; various solvents; I = 0.5 or 0.1 mol L^-1 NMe₄Cl;

DOI:10.1021/jo00111a037

upstream raw materials:

P,P-dichlorophenylphosphine oxide

4-nitro-phenol

Downstream raw materials:

phenyl-phosphonic acid bis-(4-chloro-phenyl ester)

bis(4-methoxyphenyl) phenylphosphonate

diphenyl phenylphosphonate