Tris(4-nitrophenyl) phosphate

Base Information

• Chemical Name: Tris(4-nitrophenyl) phosphate
• CAS No.: 3871-20-3
• Molecular Formula: C18H12 N3 O10 P
• Molecular Weight: 461.281
• Hs Code.: 29319090
• European Community (EC) Number: 223-389-0
• NSC Number: 66455
• UNII: 6V5B3MK2LD
• DSSTox Substance ID: DTXSID90192004
• Nikkaji Number: J209.003A
• Wikidata: Q83064589
• Mol file: 3871-20-3.mol

Synonyms:Tris(4-nitrophenyl) phosphate;3871-20-3;Tris(4-Nitrophenyl)Phosphate;Phosphoric acid, tris(4-nitrophenyl) ester;Tris-p-nitrophenyl phosphate;Phosphoric acid, tris(p-nitrophenyl) ester;6V5B3MK2LD;Tris(p-nitrophenyl) phosphate;EINECS 223-389-0;NSC 66455;NSC-66455;Phosphoric acid tri(4-nitrophenyl ester);AI3-14997;C18H12N3O10P;Phosphoric Acid Tris(4-nitrophenyl) Ester;UNII-6V5B3MK2LD;SCHEMBL35319;DTXSID90192004;NSC66455;MFCD00024649;AKOS022173470;C18-H12-N3-O10-P;2,2,7,7-Tetrabromo-9,9-spirobifluorene;Phosphoric Acid Tris-(4-nitro-phenyl)ester;CS-0204317;FT-0635041;T1002;D92432

Chemical Property of Tris(4-nitrophenyl) phosphate

Chemical Property:

• Melting Point: 156-158 °C
• Boiling Point: 592°Cat760mmHg
• Flash Point: 311.8°C
• PSA: 192.03000
• Density: 1.572g/cm³
• LogP: 6.62570
• Storage Temp.: −20°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 461.02603059
• Heavy Atom Count: 32
• Complexity: 617

Purity/Quality:

98% ^*data from raw suppliers

TRIS(4-NITROPHENYL) PHOSPHATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tris(4-nitrophenyl) phosphate

There total 11 articles about Tris(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: 95.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → tris(p-nitrophenyl)phosphate (3871-20-3)

Guidance literature:

4-nitro-phenol; With sodium; In methanol; toluene; at 30 - 45 ℃;

With trichlorophosphate; In toluene; for 0.0833333h; Thermodynamic data; Kinetics;

DOI:10.1021/op034100b

Reference yield: 93.0%

4-nitrophenol sodium salt (824-78-2) → tris(p-nitrophenyl)phosphate (3871-20-3)

Guidance literature:

With trichlorophosphate; In toluene; for 1h; Heating;

Reference yield: 52.0%

1-dichlorophosphoryloxy-4-nitro-benzene (777-52-6) → tris(p-nitrophenyl)phosphate (3871-20-3)

Guidance literature:

With 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin; sodium fluoride; In acetonitrile; at 80 ℃; for 12h;

DOI:10.1055/s-1981-29344

upstream raw materials:

4-nitro-phenol

phosphoric acid triphenyl ester

4-(4-nitrophenoxy)butanoic acid

potassium 4-nitrophenolate

Downstream raw materials:

Bis(p-nitrophenyl) phosphate

triethyl phosphate

bis(4-nitrophenyl) ethyl phosphate

methyl paraoxon

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、 -. "PROCESS FOR PREPARATION OF HIGHLY PURE DIALKYL PEMETREXED". Page/Page column 10. . Retrieved 2012/02/15.