1,2,3,6,7,8-Hexachlorodibenzofuran

Base Information

• Chemical Name: 1,2,3,6,7,8-Hexachlorodibenzofuran
• CAS No.: 57117-44-9
• Molecular Formula: C12H2Cl6O
• Molecular Weight: 374.84
• European Community (EC) Number: 694-837-4
• UNII: 1ZG4RG6I9O
• DSSTox Substance ID: DTXSID2069155
• Nikkaji Number: J364.339E
• Wikidata: Q27155433
• Pharos Ligand ID: N483Z68CLYW3
• ChEMBL ID: CHEMBL343494
• Mol file: 57117-44-9.mol

Synonyms:1,2,3,6,7,8-HEXACHLORODIBENZOFURAN;57117-44-9;PCDF 121;1,2,3,6,7,8-HxCDF;Dibenzofuran, 1,2,3,6,7,8-hexachloro-;F 121;UNII-1ZG4RG6I9O;2,3,4,7,8,9-Hexachlorodibenzofuran;1ZG4RG6I9O;CHEMBL343494;CHEBI:81511;Dibenzofuran, 1,2,3,6,7,8-hexachloro;SCHEMBL2286823;DTXSID2069155;BDBM50408332;1,2,3,6,7,8-Hexa-chlorodibenzofuran;1,2,3,6,7,8-Hexachloro-dibenzofuran;1,2,3,6,7,8-Hexachlorodibenzofurane;Hexachlorodibenzofuran, 1,2,3,6,7,8-;LS-61067;C18109;1,2,3,6,7,8-HEXACHLORODIBENZO(B,D)FURAN;Q27155433

Chemical Property of 1,2,3,6,7,8-Hexachlorodibenzofuran

Chemical Property:

• Vapor Pressure: 7.26E-09mmHg at 25°C
• Boiling Point: 478.7°Cat760mmHg
• Flash Point: 243.3°C
• PSA: 13.14000
• Density: 1.766g/cm³
• LogP: 7.50640
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 373.820731
• Heavy Atom Count: 19
• Complexity: 355

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Polyaromatics
• Canonical SMILES: C1=C2C3=C(C(=C(C=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl

Technology Process of 1,2,3,6,7,8-Hexachlorodibenzofuran

There total 23 articles about 1,2,3,6,7,8-Hexachlorodibenzofuran 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-pentachlorodibenzofuran (57117-42-7,57117-41-6) + 2,3,4,7,8-pentachlorodibenzofuran (57117-31-4) + 1,2,3,4,7,8-hexachlorodibenzofuran (57117-44-9) + 1,2,3,4,7,8-hexachlorodibenzofuran (70648-26-9)

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-pentachlorodibenzofuran (57117-42-7,57117-41-6) + 2,3,4,7,8-pentachlorodibenzofuran (57117-31-4) + 1,2,3,4,7,8-hexachlorodibenzofuran (57117-44-9) + 1,2,3,4,7,8-hexachlorodibenzofuran (70648-26-9)

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-pentachlorodibenzofuran (57117-42-7,57117-41-6) + 2,3,4,7,8-pentachlorodibenzofuran (57117-31-4) + 1,2,3,4,7,8-hexachlorodibenzofuran (57117-44-9) + 1,2,3,4,7,8-hexachlorodibenzofuran (70648-26-9)

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:

2,4,5-trichlorophenol

cellulose

Refernces

• 1、 Hatanaka, Takeshi,Kitajima, Akio,Takeuchi, Masao. "Role of copper chloride in the formation of polychlorinated dibenzo-p-dioxins and dibenzofurans during incineration". . p. 73 - 79. Retrieved 2007/10/03.
• 2、 Abad, Esteban,Martinez, Karell,Caixach, Josep,Rivera, Josep. "Polychlorinated dibenzo-p-dioxin/polychlorinated dibenzofuran releases into the atmosphere from the use of secondary fuels in cement kilns during clinker formation". . p. 4734 - 4738. Retrieved 2007/10/03.