1,4,7,8-Tetrachlorodibenzo-P-dioxin

Base Information

• Chemical Name: 1,4,7,8-Tetrachlorodibenzo-P-dioxin
• CAS No.: 40581-94-0
• Molecular Formula: C12H4Cl4O2
• Molecular Weight: 321.971
• UNII: 92974O9DNS
• DSSTox Substance ID: DTXSID6074045
• Nikkaji Number: J247.806D
• Wikidata: Q27271490
• Mol file: 40581-94-0.mol

Synonyms:1,3,7,8-TCDD;1,3,7,8-tetrachlorodibenzo-4-dioxin;1,4,7,8-TCDD

Chemical Property of 1,4,7,8-Tetrachlorodibenzo-P-dioxin

Chemical Property:

• Vapor Pressure: 1.18E-06mmHg at 25°C
• Boiling Point: 413°Cat760mmHg
• Flash Point: 161.8°C
• PSA: 18.46000
• Density: 1.643g/cm³
• LogP: 6.19820
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 321.893590
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1Cl)OC3=CC(=C(C=C3O2)Cl)Cl)Cl
• Uses: 1,4,7,8-Tetrachlorodibenzo-p-dioxin is a standard used for environmental testing and research as in the fingerprinting of pesticides as well as the formation of dioxins from pesticide formulations reacting to sunlight.

Technology Process of 1,4,7,8-Tetrachlorodibenzo-P-dioxin

There total 5 articles about 1,4,7,8-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:

potassium salt of 2,4,5-trichlorophenol (35471-43-3) + potassium salt of 2,3,6-trichlorophenol (58200-73-0) → 1,2,7,8-tetrachlorodioxine (34816-53-0) + 1,4,7,8-tetrachlorodioxine (40581-94-0)

Guidance literature:

at 300 ℃; Title compound not separated from byproducts;

DOI:10.1021/ac50064a006

Reference yield:

PVC, degree of polymerization: ca. 1100 → 1,4,7,8-tetrachlorodioxine (40581-94-0)

Guidance literature:

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

DOI:10.1016/j.chemosphere.2004.04.058

Reference yield:

→ 1,3,7,8-tetrachloro-dibenzo[1,4]dioxine (50585-46-1) + 1,3,7,9-tetrachlorodioxine (62470-53-5) + 1,2,6,8-tetrachlorodibenzo-p-dioxin (67323-56-2) + 1,4,7,8-tetrachlorodioxine (40581-94-0)

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

upstream raw materials:

potassium salt of 2,4,5-trichlorophenol

potassium salt of 2,3,6-trichlorophenol

acetylene

Refernces

• 1、 Taylor, Philip H.,Wehrmeier, Andreas,Sidhu, Sukh S.,Lenoir, Dieter,Schramm,Kettrup. "Copper-catalyzed chlorination and condensation of acetylene and dichloroacetylene". . p. 1297 - 1303. Retrieved 2007/10/03.
• 2、 Buser, Hans Rudolf,Rappe, Christoffer. "Isomer-Specific Separation of 2378-Substituted Polychlorinated Dibenzo-p-dioxins by High-Resolution Gas Chromatography/Mass Spectrometry". . p. 442 - 448. Retrieved 2007/10/02.