Tris(4-chlorophenyl) phosphate

Base Information

• Chemical Name: Tris(4-chlorophenyl) phosphate
• CAS No.: 3871-31-6
• Molecular Formula: C18H12 Cl3 O4 P
• Molecular Weight: 429.624
• Hs Code.: 2919900090
• European Community (EC) Number: 223-390-6
• DSSTox Substance ID: DTXSID10192006
• Nikkaji Number: J173.973E
• Wikidata: Q83064592
• Mol file: 3871-31-6.mol

Synonyms:Tris(4-chlorophenyl) phosphate;3871-31-6;EINECS 223-390-6;Chlorphenylphosphat;Tris-(4-chlorophenyl)phosphate;SCHEMBL1059937;DTXSID10192006;AKOS001027382;Phosphoric acid, tris(p-chlorophenyl) ester;Z56757791

Chemical Property of Tris(4-chlorophenyl) phosphate

Chemical Property:

• Vapor Pressure: 2.11E-08mmHg at 25°C
• Boiling Point: 465.7°Cat760mmHg
• Flash Point: 388.4°C
• PSA: 54.57000
• Density: 1.462g/cm³
• LogP: 7.29170
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 427.953879
• Heavy Atom Count: 26
• Complexity: 405

Purity/Quality:

98%Min ^*data from raw suppliers

TRIS(4-CHLOROPHENYL)PHOSPHATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OP(=O)(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl)Cl

Technology Process of Tris(4-chlorophenyl) phosphate

There total 11 articles about Tris(4-chlorophenyl) 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: 100.0%

tris(p-chlorophenyl)phosphite (5679-61-8) → tris(4-chlorophenyl) phosphate (3871-31-6)

Guidance literature:

With 1-methyl-3-(4-((2,4,6-triisopropylphenyl)tellanyl)benzyl)-1H-imidazol-3-ium hexafluorophosphate; Rose Bengal lactone; at 15 ℃; for 2h; Irradiation; Ionic liquid;

DOI:10.1055/s-0040-1706068

Reference yield: 95.0%

sodium 4-chlorophenolate (1193-00-6) → tris(4-chlorophenyl) phosphate (3871-31-6)

Guidance literature:

With PEG-400; trichlorophosphate; In chloroform; water;

Reference yield: 89.0%

4-chloro-phenol (106-48-9,82344-39-6) → tris(4-chlorophenyl) phosphate (3871-31-6)

Guidance literature:

With sodium hydroxide; trichlorophosphate; for 2.5h; Microwave irradiation;

DOI:10.1080/00304940009355923

upstream raw materials:

phosphoric acid triphenyl ester

tris(p-chlorophenyl)phosphite

4-chloro-phenol

1,1,2,2-Tetrachloro-pentyl-phosphorimidic acid tris-(4-chloro-phenyl) ester

Downstream raw materials:

3-nitro-4-chlorophenol

4-chloro-phenol

bis-(4-chlorophenyl)phosphoric acid

bis(4-chlorophenyl) methyl phosphate

Refernces

• 1、 Oba, Makoto,Okada, Yasunori,Nishiyama, Kozaburo,Ando, Wataru. "Aerobic photooxidation of phosphite esters using diorganotelluride catalysts". supporting information; experimental part. p. 1879 - 1881. Retrieved 2009/10/10.
• 2、 Silva, J. F. Cajaiba da,Pedrosa, M. S.,Nakayama, H. T.,Neto, C. Costa. "Electronic Structure and 31P NMR Chemical Shift of Substituted Triaryl, Diaryl Methyl and Dimethyl Aryl Phosphates - a Semi-empirical Molecular Orbital Approach". . p. 97 - 106. Retrieved 2007/10/03.