Tris(2,2,2-trichloroethyl) phosphate

Base Information

• Chemical Name: Tris(2,2,2-trichloroethyl) phosphate
• CAS No.: 20405-30-5
• Molecular Formula: C6H6 Cl9 O4 P
• Molecular Weight: 492.162
• Hs Code.: 2919900090
• European Community (EC) Number: 243-793-0
• DSSTox Substance ID: DTXSID00174356
• Nikkaji Number: J280.585E
• Wikidata: Q83044430
• Mol file: 20405-30-5.mol

Synonyms:20405-30-5;Tris(2,2,2-trichloroethyl) phosphate;EINECS 243-793-0;Ethanol, 2,2,2-trichloro-, 1,1',1''-phosphate;Tris(2,2,2-trichloroethyl)phosphate;C6H6Cl9O4P;SCHEMBL5983546;C6-H6-Cl9-O4-P;DTXSID00174356;AKOS024427864;Ethanol, 2,2,2-trichloro-, phosphate (3:1);Phosphoric acid tris(2,2,2-trichloroethyl) ester

Chemical Property of Tris(2,2,2-trichloroethyl) phosphate

Chemical Property:

• Vapor Pressure: 4.22E-06mmHg at 25°C
• Boiling Point: 395.4°Cat760mmHg
• Flash Point: 297.4°C
• PSA: 54.57000
• Density: 1.8g/cm³
• LogP: 6.25490
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 491.714145
• Heavy Atom Count: 20
• Complexity: 294

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(Cl)(Cl)Cl)OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

Technology Process of Tris(2,2,2-trichloroethyl) phosphate

There total 11 articles about Tris(2,2,2-trichloroethyl) 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: 87.0%

pentakis(2,2,2-trichloroethoxy)phosphorane (71181-72-1) → tris(2,2,2-trichloroethyl) phosphate (20405-30-5)

Guidance literature:

With water; In acetone; for 1h; Ambient temperature;

Reference yield: 71.0%

dichloro-(2,2,2-trichloroethoxy)phosphorane (73954-65-1) → tris(2,2,2-trichloroethyl) phosphate (20405-30-5)

Guidance literature:

With water; In dichloromethane; acetone; -60 deg C, 30 min, then 20 deg C, 30 min;

Reference yield:

tris-(2,2,2-trichloroethyl) phosphite (1069-93-8) → tris(2,2,2-trichloroethyl) phosphate (20405-30-5)

Guidance literature:

With diethyl ether; chlorine; und Behandeln des Reaktionsprodukts mit Wasser;

upstream raw materials:

1,1,1-trichloroethanol

tris-(2,2,2-trichloroethyl) phosphite

pentakis(2,2,2-trichloroethoxy)phosphorane

dichloro-(2,2,2-trichloroethoxy)phosphorane

Refernces

• 1、 Markovskii, L. N.,Solov'ev, A. V.,Shermolovich, Yu. G.. "AMINOCHLOROTRIS(2,2,2-TRICHLOROETHOXY)PHOSPHORANES AND AMINOTETRAKIS(2,2,2-TRICHLOROETHOXY)PHOSPHORANES". . p. 1757 - 1761. Retrieved 2007/10/02.