Tris(2-chloroethyl) phosphate

Base Information

• Chemical Name: Tris(2-chloroethyl) phosphate
• CAS No.: 115-96-8
• Deprecated CAS: 21343-84-0
• Molecular Formula: C6H12Cl3O4P
• Molecular Weight: 285.492
• Hs Code.: HOSPHATE PRODUCT IDENTIFICATION
• European Community (EC) Number: 204-118-5,249-806-6,270-139-1
• ICSC Number: 1677
• NSC Number: 3213
• UN Number: 2810,3082
• UNII: 32IVO568B0
• DSSTox Substance ID: DTXSID5021411
• Nikkaji Number: J4.095I
• Wikipedia: Tris(2-chloroethyl)_phosphate
• Wikidata: Q1670500
• ChEMBL ID: CHEMBL1413786
• Mol file: 115-96-8.mol

Synonyms:Fyrol CEF;Genomoll P;tri(chloroethyl)phosphate;tris(2-chlorethyl)orthophosphate;tris(2-chloroethyl)phosphate;tris(chloroethyl)phosphate

Chemical Property of Tris(2-chloroethyl) phosphate

Chemical Property:

• Appearance/Colour: odorless clear liquid
• Vapor Pressure: <10 mm Hg ( 25 °C)
• Melting Point: -51 °C
• Refractive Index: 1.4720
• Boiling Point: 347.4 °C at 760 mmHg
• Flash Point: 232.2 °C
• PSA: 54.57000
• Density: 1.392 g/cm³
• LogP: 2.86070
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble7.82g/L
• Water Solubility.: 7 g/L (20 ºC)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 283.953879
• Heavy Atom Count: 14
• Complexity: 152
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Tris(2-chloroethyl) Phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N,T
• Statements: 22-40-51/53-60
• Safety Statements: 36/37-61-45-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organophosphate Insecticides
• Canonical SMILES: C(CCl)OP(=O)(OCCCl)OCCCl
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Long Term Exposure: This substance is possibly carcinogenic to humans. Animal tests show that this substance possibly causes toxicity to human reproduction or development.
• Uses: Tris(2-chloroethyl) phosphate was used in dynamic air sampling of airborne organophosphate triesters using a solid-phase microextraction device. A human urinary organophosphate flame retardant metabolite.

Technology Process of Tris(2-chloroethyl) phosphate

There total 7 articles about Tris(2-chloroethyl) 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: 99.2%

oxirane (75-21-8,99932-75-9) → Tris(2-chloroethyl) phosphate (115-96-8,28205-79-0)

Guidance literature:

With trichlorophosphate; at 10 ℃; for 2h; Autoclave; Reflux;

DOI:10.1016/j.cclet.2012.09.015

Reference yield: 91.0%

2-chloro-ethanol (107-07-3) → Tris(2-chloroethyl) phosphate (115-96-8,28205-79-0)

Guidance literature:

With trichlorophosphate; 1.) 25-30 deg C, 3 h, 2.) 50-60 deg C, 6 h;

Reference yield:

tris(2-chloro-ethyl)phosphite (140-08-9) → Tris(2-chloroethyl) phosphate (115-96-8,28205-79-0)

Guidance literature:

With potassium permanganate;

upstream raw materials:

oxirane

tris(2-chloro-ethyl)phosphite

ethene

2-chloro-ethanol

Downstream raw materials:

phosphoric acid mono-(2-hydroxy-ethyl) ester

1,2-dichloro-ethane

Dichlorophenylphosphine

2-chloroethylphosphonic acid

Refernces

• 1、 Ilia, Gheorghe,Caprita, Adrian,Dehelean, Gheorghe. "SYNTHESIS OF TRIS(2-CHLOROETHYL)PHOSPHATE". . p. 391 - 399. Retrieved 2007/10/03.
• 2、 Kumar, Suniti,Narula, Suraj P.,Sharma, Rajeev. "Tris(2-chloroethyl)phosphate Chelates of Vanadium(III), Chromium(III) and Oxovanadium(IV)". . p. 1051 - 1053. Retrieved 2007/10/02.