Bis(2,4,6-trichlorophenyl) oxalate

Base Information

• Chemical Name: Bis(2,4,6-trichlorophenyl) oxalate
• CAS No.: 1165-91-9
• Molecular Formula: C14H4Cl6O4
• Molecular Weight: 448.901
• Hs Code.: 2917.11
• European Community (EC) Number: 629-336-1
• DSSTox Substance ID: DTXSID80151403
• Nikkaji Number: J149.772C
• Wikidata: Q3359026
• Mol file: 1165-91-9.mol

Synonyms:bis(2,4,6-trichlorophenyl)oxalate;bis-TCPO

Chemical Property of Bis(2,4,6-trichlorophenyl) oxalate

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 3.66E-10mmHg at 25°C
• Melting Point: 188-192 °C
• Refractive Index: 1.623
• Boiling Point: 500.9 °C at 760 mmHg
• Flash Point: 190.6 °C
• PSA: 52.60000
• Density: 1.698 g/cm³
• LogP: 6.11800
• Storage Temp.: −20°C
• Solubility.: almost transparency in hot Toluene
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 447.821125
• Heavy Atom Count: 24
• Complexity: 412

Purity/Quality:

99.0% ^*data from raw suppliers

Bis(2,4,6-trichlorophenyl) oxalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-21/22
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)OC(=O)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
• Uses: Reagent used for the generation of peroxy-oxalate chemiluminescence with H2O2. Used for the determination of fluorescent compounds in HPLC. Bis(2,4,6-trichlorophenyl)ethanedioate is a chemiluminescent chemical that is often used as a fluorescent dye. Bis(2,4,6-Trichlorophenyl)Oxalate is often used in chemiluminescent assays, in types of ELISA and for the detection of various particles, structure or compounds.

Technology Process of Bis(2,4,6-trichlorophenyl) oxalate

There total 2 articles about Bis(2,4,6-trichlorophenyl) oxalate 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: 50.0%

oxalyl dichloride (79-37-8) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8) → bis(2,4,6-trichlorophenyl) oxalate (1165-91-9)

Guidance literature:

With pyridine; In diethyl ether; at 0 ℃; for 1h;

DOI:10.1021/jo951696v

Reference yield:

→ bis(2,4,6-trichlorophenyl) oxalate (1165-91-9)

Guidance literature:

Oxalylchlorid, 2,4,6-Trichlor-phenol (Triethylamin, Dioethylether);

DOI:10.1021/je60023a034

Reference yield:

bis(2,4,6-trichlorophenyl) oxalate (1165-91-9) → 2,4,6-Trichlorophenol (88-06-2,67471-29-8)

Guidance literature:

With 1H-imidazole; 3-aminofluoranthene; dihydrogen peroxide; In water; acetonitrile; at 22 ℃; Further Variations:; Reagents; Temperatures; Solvents; Kinetics;

DOI:10.1021/ac991339a

upstream raw materials:

oxalyl dichloride

2,4,6-Trichlorophenol

Downstream raw materials:

1,1'-oxalyldiimidazole

2,4,6-Trichlorophenol

carbon dioxide

oxalic acid