1,2,6,9-Tetrachlorodibenzo-P-dioxin

Base Information

• Chemical Name: 1,2,6,9-Tetrachlorodibenzo-P-dioxin
• CAS No.: 40581-91-7
• Molecular Formula: C12H4Cl4O2
• Molecular Weight: 321.971
• UNII: 25X59A1733
• DSSTox Substance ID: DTXSID20960990
• Nikkaji Number: J247.804H
• Wikidata: Q27254004
• Mol file: 40581-91-7.mol

Synonyms:1,2,6,9-TETRACHLORODIBENZO-P-DIOXIN;40581-91-7;UNII-25X59A1733;Dibenzo(b,e)(1,4)dioxin, 1,2,6,9-tetrachloro-;1,2,6,9-TCDD;Dibenzo-p-dioxin, 1,2,6,9-tetrachloro;25X59A1733;1,2,6,9-Tetrachlorodibenzo(b,e)(1,4)dioxin;1,2,6,9-tetrachloro dibenzo-p-dioxin;PCDD 38;1,2,6,9-tetrachlorooxanthrene;DTXSID20960990;ZKMXKYXNLFLUCD-UHFFFAOYSA-N;1,2,6,9-tetrachlorodibenzodioxin;Q27254004

Chemical Property of 1,2,6,9-Tetrachlorodibenzo-P-dioxin

Chemical Property:

• Vapor Pressure: 1.2E-06mmHg at 25°C
• Boiling Point: 412.8°Cat760mmHg
• Flash Point: 161.6°C
• PSA: 18.46000
• Density: 1.643g/cm³
• LogP: 6.19820
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 321.893590
• Heavy Atom Count: 18
• Complexity: 317

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C2=C1OC3=C(C=CC(=C3O2)Cl)Cl)Cl)Cl

Technology Process of 1,2,6,9-Tetrachlorodibenzo-P-dioxin

There total 4 articles about 1,2,6,9-Tetrachlorodibenzo-P-dioxin 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:

→ 1,4,6,9-tetrachloro-dibenzo[1,4]dioxine (40581-93-9) + 1,2,6,9-tetrachlorodibenzo-p-dioxin (40581-91-7) + 1,2,7,8-tetrachlorodioxine (34816-53-0) + 1,2,3,9-tetrachlorodibenzo-p-dioxin (71669-26-6)

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:

acetylene (74-86-2,25067-58-7) → 1,4,6,9-tetrachloro-dibenzo[1,4]dioxine (40581-93-9) + 1,2,6,9-tetrachlorodibenzo-p-dioxin (40581-91-7) + 1,2,7,8-tetrachlorodioxine (34816-53-0) + 1,2,3,9-tetrachlorodibenzo-p-dioxin (71669-26-6)

Guidance literature:

With oxygen; copper dichloride; at 300 ℃; for 0.000555556h; Further byproducts given; Formation of xenobiotics;

DOI:10.1016/S0045-6535(99)00272-6

Reference yield:

PVC, degree of polymerization: ca. 1100 → 1,2,6,9-tetrachlorodibenzo-p-dioxin (40581-91-7)

Guidance literature:

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

DOI:10.1016/j.chemosphere.2004.04.058

upstream raw materials:

potassium salt of 2,3,6-trichlorophenol

acetylene

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