Tri(2,6-xylenyl)phosphate

Base Information

• Chemical Name: Tri(2,6-xylenyl)phosphate
• CAS No.: 121-06-2
• Molecular Formula: C₂₄H₂₇O₄P
• Molecular Weight: 410.45
• Hs Code.: 2919900090
• European Community (EC) Number: 654-405-8
• NSC Number: 15282
• UNII: R4QU4542WQ
• DSSTox Substance ID: DTXSID70891326
• Nikkaji Number: J173.957C
• Wikidata: Q18479317
• Mol file: 121-06-2.mol

Synonyms:Tri(2,6-xylenyl)phosphate;121-06-2;tris(2,6-dimethylphenyl) phosphate;Tri-2,6-xylyl phosphate;Tri(2,6-dimethylphenyl) phosphate;2,6-Xylyl phosphate;Tris(2,6-dimethylphenyl)phosphate;2,6-Xylenol, phosphate (3:1);Phenol, 2,6-dimethyl-, phosphate (3:1);TRIS(2,6-XYLENYL)PHOSPHATE;2,6-Dimethylphenol phosphate (3:1);HSDB 3910;Phosphoric acid, tris(dimethylphenyl) ester;2-bis(2,6-dimethylphenoxy)phosphoryloxy-1,3-dimethyl-benzene;NSC 15282;2,6-Xylyl phosphate, (C8H9O)3PO;BRN 3491836;UNII-R4QU4542WQ;AI3-26997;R4QU4542WQ;NSC-15282;4-06-00-03121 (Beilstein Handbook Reference);NSC15282;SCHEMBL940949;DTXSID70891326;AKOS024429117;Phenol,6-dimethyl-, phosphate (3:1);LS-104535;2,6-XYLYL PHOSPHATE ((C8H9O)3PO);Phosphoric acid tri(2,6-dimethylphenyl) ester;TRI(2,6-DIMETHYLPHENYL) PHOSPHATE [HSDB];Q18479317

Chemical Property of Tri(2,6-xylenyl)phosphate

Chemical Property:

• Vapor Pressure: 2.51E-07mmHg at 25°C
• Melting Point: 137.8oC
• Boiling Point: 433.9°C at 760 mmHg
• Flash Point: 229.6°C
• PSA: 54.57000
• Density: 1.154g/cm³
• LogP: 7.18190
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 410.16469634
• Heavy Atom Count: 29
• Complexity: 461

Purity/Quality:

99% ^*data from raw suppliers

TRIS-(2,6-DIMETHYLPHENYL)PHOSPHATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=CC=C2C)C)OC3=C(C=CC=C3C)C

Technology Process of Tri(2,6-xylenyl)phosphate

There total 2 articles about Tri(2,6-xylenyl)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:

tris(2,6-dimethylphenyl) phosphite (52830-49-6) → phosphoric acid tris-(2,6-dimethyl-phenyl ester) (121-06-2)

Guidance literature:

With chlorine; Petroleum ether; Behandeln des Reaktionsprodukts mit wss. NaOH;

DOI:10.1039/jr9560003043

Reference yield:

2.6-dimethylphenol (576-26-1,25134-01-4) → phosphoric acid tris-(2,6-dimethyl-phenyl ester) (121-06-2)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₃

2: chlorine; petroleum ether / Behandeln des Reaktionsprodukts mit wss. NaOH

With chlorine; Petroleum ether; phosphorus trichloride;

DOI:10.1039/jr9560003043

upstream raw materials:

tris(2,6-dimethylphenyl) phosphite

2.6-dimethylphenol