1,3,6,8-Tetrachlorodibenzofuran

Base Information

• Chemical Name: 1,3,6,8-Tetrachlorodibenzofuran
• CAS No.: 71998-72-6
• Molecular Formula: C₁₂H₄Cl₄O
• Molecular Weight: 305.975
• European Community (EC) Number: 809-731-7
• UNII: 03EJM6SF21
• DSSTox Substance ID: DTXSID50222275
• Nikkaji Number: J401.054J
• Wikidata: Q27247559
• Mol file: 71998-72-6.mol

Synonyms:1,3,6,8-TCDF;1,3,6,8-tetrachlorodibenzofuran

Chemical Property of 1,3,6,8-Tetrachlorodibenzofuran

Chemical Property:

• Vapor Pressure: 9.2E-07mmHg at 25°C
• Melting Point: 177.5°C
• Refractive Index: 1.7140 (rough estimate)
• Boiling Point: 416.5°C at 760 mmHg
• Flash Point: 205.7°C
• PSA: 13.14000
• Density: 1.625g/cm³
• LogP: 6.19960
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 305.898675
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

99%min ^*data from raw suppliers

1,3,6,8-TETRACHLORODIBENZOFURAN 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1C3=C(O2)C=C(C=C3Cl)Cl)Cl)Cl
• Uses: 1,3,6,8-Tetrachlorodibenzofuran is a standard used in environmental testing and research such as the study of dioxins in sediments.

Technology Process of 1,3,6,8-Tetrachlorodibenzofuran

There total 8 articles about 1,3,6,8-Tetrachlorodibenzofuran 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:

→ 1,2,6,7-tetrachlorodioxine (40581-90-6) + 1,2,8,9-tetrachloro-dibenzo[1,4]dioxine (62470-54-6) + 1,3,6,8-tetrachlorodibenzofuran (71998-72-6) + 1,3,7,8-tetrachlorodibenzofuran (57117-35-8)

Guidance literature:

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

DOI:10.1021/es971077z

Reference yield:

2,4,6-Trichlorophenol (88-06-2,67471-29-8) → 2,4,6,8-tetrachlorodibenzofuran (58802-19-0) + 1,3,6,8-tetrachlorodibenzofuran (71998-72-6) + 2,3,6,7-tetrachlorodibenzofuran (57117-39-2) + Tetrachlorinated dibenzofurans; mixture of

Guidance literature:

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

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

Reference yield:

ovalene (190-26-1) → 1,3,6,8-tetrachlorodibenzofuran (71998-72-6)

Guidance literature:

With oxygen; pyrographite; copper(l) chloride; at 400 ℃; for 2h; Formation of xenobiotics;

DOI:10.1021/es980857k

upstream raw materials:

2,2',4,5',6-pentachlorobiphenyl

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

ovalene

Coronene

Refernces

• 1、 Ryu, Jae-Yong,Mulholland, James A.,Oh, Jeong-Eun,Nakahata, Duane T.,Kim, Do-Hyong. "Prediction of polychlorinated dibenzofuran congener distribution from gas-phase phenol condensation pathways". . p. 1447 - 1455. Retrieved 2007/10/03.
• 2、 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.