1,2,3,7,9-Pentachlorodibenzofuran

Base Information

• Chemical Name: 1,2,3,7,9-Pentachlorodibenzofuran
• CAS No.: 83704-53-4
• Molecular Formula: C₁₂H₃Cl₅O
• Molecular Weight: 340.42
• UNII: 97FAG97HI0
• DSSTox Substance ID: DTXSID00232566
• Nikkaji Number: J391.106C
• Wikidata: Q27272010
• Pharos Ligand ID: 6Q7PG1T71F8H
• ChEMBL ID: CHEMBL134370

Synonyms:1,2,3,7,9-PENTACHLORODIBENZOFURAN;83704-53-4;Dibenzofuran, 1,2,3,7,9-pentachloro;UNII-97FAG97HI0;Dibenzofuran, 1,2,3,7,9-pentachloro-;97FAG97HI0;CHEMBL134370;1,2,3,7,9-pentachlorodibenzo[b,d]furan;PCDF 95;SCHEMBL2284432;DTXSID00232566;BDBM50408311;1,2,3,7,9-Pentachloro-dibenzofuran;LS-61104;Q27272010

Chemical Property of 1,2,3,7,9-Pentachlorodibenzofuran

Chemical Property:

• Vapor Pressure: 8.35E-08mmHg at 25°C
• Boiling Point: 448.2°C at 760 mmHg
• Flash Point: 224.9°C
• PSA: 13.14000
• Density: 1.7g/cm³
• LogP: 6.85300
• XLogP3: 6.8
• 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% ^*data from raw suppliers

1,2,3,7,9-PENTACHLORODIBENZOFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1OC3=CC(=C(C(=C32)Cl)Cl)Cl)Cl)Cl
• Uses: 1,2,3,8,9-Pentachlorodibenzofuran is a standard used for environmental testing and research such as in the study of dioxin formation due to pesticidal exposure to sunlight.

Technology Process of 1,2,3,7,9-Pentachlorodibenzofuran

There total 3 articles about 1,2,3,7,9-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:

→ 1,2,3,6,7-pentachlorodibenzofuran (57117-42-7) + 1,2,6,7,8-pentachlorodibenzofuran (69433-00-7) + 1,2,3,7,9-pentachlorodibenzofuran (83704-53-4) + 1,2,4,6,9-Pentachlorodibenzofuran (70648-24-7)

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 → 1,2,3,7,9-pentachlorodibenzofuran (83704-53-4)

Guidance literature:

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

DOI:10.1016/j.chemosphere.2004.04.058

Reference yield:

2,4,6-Trichlorophenol (88-06-2,67471-29-8) → 1,2,4,6,8-pentachlorodibenzofuran (69698-57-3) + 1,2,6,7,8-pentachlorodibenzofuran (69433-00-7) + 1,2,3,7,9-pentachlorodibenzofuran (83704-53-4) + 1,3,4,6,8-pentachlorodibenzofuran (83704-55-6)

Guidance literature:

With oxygen; fly ash; at 325 - 350 ℃; for 0.5h; Further byproducts given; Formation of xenobiotics;

DOI:10.1016/S0045-6535(99)00344-6

upstream raw materials:

2,4,6-Trichlorophenol

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