1,2,3,6,7,8-Hexachlorodibenzo-P-dioxin

Base Information

• Chemical Name: 1,2,3,6,7,8-Hexachlorodibenzo-P-dioxin
• CAS No.: 57653-85-7
• Molecular Formula: C12H2 Cl6 O2
• Molecular Weight: 390.865
• European Community (EC) Number: 694-811-2
• UN Number: 2811
• UNII: B94L7A4G3D
• DSSTox Substance ID: DTXSID0023824
• Nikkaji Number: J34.852J
• Wikidata: Q26841237
• Mol file: 57653-85-7.mol

Synonyms:1,2,3,6,7,8-hexachlorodibenzo-p-dioxin;1,2,3,6,7,8-hexachlorodibenzodioxin;HxCDD

Chemical Property of 1,2,3,6,7,8-Hexachlorodibenzo-P-dioxin

Chemical Property:

• Vapor Pressure: 7.72E-09mmHg at 25°C
• Melting Point: 285-286 ºC
• Refractive Index: 1.6710 (estimate)
• Boiling Point: 478 °C at 760 mmHg
• Flash Point: 182.9 °C
• PSA: 18.46000
• Density: 1.777 g/cm³
• LogP: 7.50500
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 389.815645
• Heavy Atom Count: 20
• Complexity: 338
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,6,7,8-Hexachlorodibenzodioxin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Polyaromatics
• Canonical SMILES: C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=CC(=C(C(=C3O2)Cl)Cl)Cl

Technology Process of 1,2,3,6,7,8-Hexachlorodibenzo-P-dioxin

There total 13 articles about 1,2,3,6,7,8-Hexachlorodibenzo-P-dioxin 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:

2,4,5-trichlorophenol (95-95-4) → 1,2,3,7,8-pentachlorodibenzodioxin (40321-76-4) + 1,2,3,6,7,8-hexaCDD (57653-85-7) + 1,2,3,4,7,8-hexachlorodibenzodioxin (39227-28-6) + 2,3,7,8-Tetrachloro-dibenzo[1,4]dioxine (1746-01-6,56795-67-6)

Guidance literature:

With oxygen; copper dichloride; at 240 ℃; for 13h; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00552-X

Reference yield:

municipal solid waste → 1,2,3,7,8-pentachlorodibenzodioxin (40321-76-4) + 1,2,3,6,7,8-hexaCDD (57653-85-7) + 1,2,3,4,7,8-hexachlorodibenzodioxin (39227-28-6) + 2,3,7,8-Tetrachloro-dibenzo[1,4]dioxine (1746-01-6,56795-67-6)

Guidance literature:

With oxygen; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics; combustion;

DOI:10.1016/S0045-6535(00)00423-9

Reference yield:

extracted fly ash → 1,2,3,7,8-pentachlorodibenzodioxin (40321-76-4) + 1,2,3,6,7,8-hexaCDD (57653-85-7) + 1,2,3,4,7,8-hexachlorodibenzodioxin (39227-28-6) + 2,3,7,8-Tetrachloro-dibenzo[1,4]dioxine (1746-01-6,56795-67-6)

Guidance literature:

With oxygen; pyrographite; sodium chloride; at 340 ℃; Further Variations:; percentage of O2 in N2+O2 mixture; Product distribution; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00433-1

upstream raw materials:

potassium salt of 2,3,4,5-tetrachlorophenol

Potassium; 2,3,4,6-tetrachloro-phenolate

2,4,5-trichlorophenol

Refernces

• 1、 Kim, Sam-Cwan,Jeon, Sung-Hwan,Jung, Il-Rok,Kim, Ki-Heon,Kwon, Myung-Hee,Kim, Jae-Hyung,Yi, Jun-Heung,Kim, Seung-Jin,You, Jae-Cheon,Jung, Dong-Hee. "Formation and emission status of PCDDS/PCDFS in municipal solid waste incinerators in korea". . p. 701 - 707. Retrieved 2007/10/03.
• 2、 Muto, Hajime,Saitoh, Koki,Funayama, Hitoshi. "PCDD/DF formations by the heterogeneous thermal reactions of phenols and their TiO2 photocatalytic degradation by batch-recycle system". . p. 129 - 136. Retrieved 2007/10/03.