1,2,3,4,8-Pentachlorodibenzofuran

Base Information

• Chemical Name: 1,2,3,4,8-Pentachlorodibenzofuran
• CAS No.: 67517-48-0
• Molecular Formula: C12H3Cl5O
• Molecular Weight: 340.4166
• UNII: QZZ28029Y7
• DSSTox Substance ID: DTXSID7075262
• Nikkaji Number: J401.072H
• Wikidata: Q27287582
• Pharos Ligand ID: A3HKTUF3CK22
• ChEMBL ID: CHEMBL344919
• Mol file: 67517-48-0.mol

Synonyms:1,2,3,4,8-PENTACHLORODIBENZOFURAN;67517-48-0;Dibenzofuran, 1,2,3,4,8-pentachloro-;BRN 5079795;UNII-QZZ28029Y7;CHEMBL344919;QZZ28029Y7;1,2,3,4,8-penta-chlorodibenzofuran;Dibenzofuran, 1,2,3,4,8-pentachloro;PCDF 89;DTXSID7075262;1,2,3,4,8-PECDF;BDBM50408333;1,2,3,4,8-Pentachloro-dibenzofuran;1,2,3,4,8-PCDF;LS-61102;Q27287582

Chemical Property of 1,2,3,4,8-Pentachlorodibenzofuran

Chemical Property:

• Vapor Pressure: 9.84E-08mmHg at 25°C
• Boiling Point: 446.1°Cat760mmHg
• Flash Point: 223.6°C
• PSA: 13.14000
• Density: 1.7g/cm³
• LogP: 6.85300
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 339.859703
• Heavy Atom Count: 18
• Complexity: 328

Purity/Quality:

99%min ^*data from raw suppliers

1,2,3,4,8-PENTACHLORODIBENZOFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
• Uses: 1,2,3,4,8-Pentachlorodibenzofuran is a standard for environmental testing and research and is used in the study of PCB contamination in trees in contamination-free areas as well as polychlorinated dibenzofurans in soil around hazardous waste incinerators.

Technology Process of 1,2,3,4,8-Pentachlorodibenzofuran

There total 11 articles about 1,2,3,4,8-Pentachlorodibenzofuran 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:

→ 1,2,3,4,8-pentachlorodibenzofuran (67517-48-0) + 1,2,3,7,8-pentachlorodibenzofuran (57117-42-7,57117-41-6) + 1,2,3,4,6-pentachlorodibenzofuran (83704-47-6) + 1,3,4,6,9-pentachlorodibenzofuran (70648-15-6)

Guidance literature:

With oxygen; sodium chloride; fly ash; at 298 - 398 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1021/es971077z

Reference yield:

PVC, degree of polymerization: ca. 1100 → 1,2,3,4,8-pentachlorodibenzofuran (67517-48-0) + 1,2,3,7,8-pentachlorodibenzofuran (57117-42-7,57117-41-6)

Guidance literature:

With copper chloride; at 900 ℃; Formation of xenobiotics;

DOI:10.1016/j.chemosphere.2004.04.058

Reference yield:

soil organic matter → 1,2,3,4,8-pentachlorodibenzofuran (67517-48-0) + 1,2,3,7,8-pentachlorodibenzofuran (57117-42-7,57117-41-6) + 1,2,3,4,6-pentachlorodibenzofuran (83704-47-6) + 1,2,4,8,9-pentachlorodibenzofuran (70648-23-6)

Guidance literature:

With sodium chloride; for 8766h; Formation of xenobiotics;

DOI:10.1021/es9900104

upstream raw materials:

2,2',3,4,5,5'-hexachlorobiphenyl

2,3,4,5,3'-pentachlorobiphenyl

2,2',3,4,5,5',6-heptachlorobiphenyl

ovalene

Refernces

• 1、 Iino,Imagawa,Takeuchi,Sadakata. "De novo synthesis mechanism of polychlorinated dibenzofurans from polycyclic aromatic hydrocarbons and the characteristic isomers of polychlorinated naphthalenes". . p. 1038 - 1043. Retrieved 2007/10/03.
• 2、 Addink, Ruud,Govers, Harrie A. J.,Olie, Kees. "Isomer distributions of polychlorinated dibenzo-p-dioxins/dibenzofurans formed during de novo synthesis on incinerator fly ash". . p. 1888 - 1893. Retrieved 2007/10/03.