trichloroepoxyethane

Base Information

• Chemical Name: trichloroepoxyethane
• CAS No.: 16967-79-6
• Molecular Formula: C2H Cl3 O
• Molecular Weight: 147.388
• Hs Code.: 2910900090
• UNII: DXK2817N87
• DSSTox Substance ID: DTXSID80937663
• Nikkaji Number: J974.086D
• Wikidata: Q27103944
• Metabolomics Workbench ID: 51880
• Mol file: 16967-79-6.mol

Synonyms:Ethane,1,1,2-trichloro-1,2-epoxy- (7CI); Ethane, trichloroepoxy- (8CI); Oxirane,trichloro- (9CI); 1,1,2-Trichloroepoxyethane; Trichloroethylene epoxide;Trichloroethylene oxide; Trichlorooxirane

Chemical Property of trichloroepoxyethane

Chemical Property:

• Vapor Pressure: 5.28mmHg at 25°C
• Refractive Index: 1.4559 (estimate)
• Boiling Point: 148.8°Cat760mmHg
• Flash Point: 62°C
• PSA: 12.53000
• Density: 1.73g/cm³
• LogP: 1.71290
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 145.909298
• Heavy Atom Count: 6
• Complexity: 71.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(O1)(Cl)Cl)Cl

Technology Process of trichloroepoxyethane

There total 3 articles about trichloroepoxyethane 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:

trans-1,2-dichloroethylene (156-60-5,43695-79-0) → dichloroacethyl chloride (79-36-7) + trichloroethylene epoxide (16967-79-6) + trans-1,2-Dichloroethylene epoxide (16650-12-7) + 1,1,2,2-tetrachloroethane (79-34-5)

Guidance literature:

With oxygen; chlorine; In neat (no solvent); at 30 ℃; for 56h; under 1050.08 Torr; Yield given. Further byproducts given. Yields of byproduct given; Irradiation;

Reference yield:

Trichloroethylene (79-01-6) → trichloroethylene epoxide (16967-79-6) + chloral (75-87-6)

Guidance literature:

With α-D-glucose 6-phosphate; phenobarbital induced rat liver microsomes; nicotinamide adenine dinucleotide phosphate; yeast glucose-6-phosphate dehydrogenase; In phosphate buffer; at 37 ℃; Further Variations:; Reagents; Product distribution;

DOI:10.1021/tx000003p

Reference yield:

1,2-dichloroethylene oxide (60336-63-2) → perchloroethylene oxide (16650-10-5) + trichloroethylene epoxide (16967-79-6)

Guidance literature:

With chlorine; In neat (no solvent); at 30 ℃; for 23h; Irradiation;

upstream raw materials:

1,2-dichloroethylene oxide

trans-1,2-dichloroethylene

Trichloroethylene

Downstream raw materials:

N,N-diethyldichloroacetamide

dichloro-acetic acid

formic acid

chloral

Refernces

• 1、 Griesbaum, Karl,Hayes, Michael P.,Werli, Vera. "Products and reaction pats in the liquid phase oxidation of trans-1,2-dichloroethene with oxygen". . p. 1366 - 1370. Retrieved 2007/10/02.