1,2,3,4,7,8-Hexachlorodibenzofuran

Base Information

• Chemical Name: 1,2,3,4,7,8-Hexachlorodibenzofuran
• CAS No.: 70648-26-9
• Molecular Formula: C12H2 Cl6 O
• Molecular Weight: 374.865
• European Community (EC) Number: 694-812-8
• UNII: BP4Q20NZGY
• DSSTox Substance ID: DTXSID6029915
• Nikkaji Number: J364.338G
• Wikidata: Q27155431
• Pharos Ligand ID: SSVKP9YM9UBF
• ChEMBL ID: CHEMBL342717
• Mol file: 70648-26-9.mol

Synonyms:1,2,3,4,7,8-HCDB;1,2,3,4,7,8-hexachlorodibenzofuran

Chemical Property of 1,2,3,4,7,8-Hexachlorodibenzofuran

Chemical Property:

• Vapor Pressure: 9.51E-09mmHg at 25°C
• Melting Point: 226°C
• Refractive Index: 1.7180 (rough estimate)
• Boiling Point: 475.5°C at 760 mmHg
• Flash Point: 241.4°C
• PSA: 13.14000
• Density: 1.766g/cm³
• LogP: 7.50640
• Water Solubility.: 0.008247ug/L(22.5 oC)
• 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

1,2,3,4,7,8-Hexachlorodibenzofuran ^*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(=CC(=C1Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl
• Uses: 1,2,3,4,7,8-hexachlorodibenzofuran, is a toxic polychlorinated dibenzofurans (PCDD/F), detected in domestic meat and poultry. It can be used as purified standards for analytical, toxic, and biological studies of these environmental contaminants.

Technology Process of 1,2,3,4,7,8-Hexachlorodibenzofuran

There total 13 articles about 1,2,3,4,7,8-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:

6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine (1912-24-9,93616-39-8) → 2,3,7,8-Tetrachloro-dibenzo[1,4]dioxine (1746-01-6,56795-67-6) + 1,2,3,4,6,7,8,9-octachlorodibenzofuran (39001-02-0) + 1,2,3,4,7,8-hexachlorodibenzofuran (70648-26-9)

Guidance literature:

With oxygen; at 500 - 900 ℃; Further Variations:; Temperatures; Product distribution; Formation of xenobiotics; combustion;

DOI:10.1016/S0045-6535(99)00231-3

Reference yield:

iron ore; coke; recycled iron-bearing residues; mixture of → 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 (70648-26-9) + pentachlorinated dibenzofurans; mixture of

Guidance literature:

With air; at 300 ℃; for 2h; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00247-2

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

upstream raw materials:

dibenzofuran

6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine

2,4,5-trichlorophenol

Refernces

• 1、 Buekens,Stieglitz,Hell,Huang,Segers. "Dioxins from thermal and metallurgical processes: Recent studies for the iron and steel industry". . p. 729 - 735. Retrieved 2007/10/03.
• 2、 Gullett, Brian K,Lemieux, Paul M.,Lutes, Christopher C.,Winterrowd, Chris K.,Winters, Dwain L.. "Emissions of PCDD/F from uncontrolled, domestic waste burning". . p. 721 - 725. Retrieved 2007/10/03.