1,2,3,4,7-Pentachlorodibenzo-P-dioxin

Base Information

• Chemical Name: 1,2,3,4,7-Pentachlorodibenzo-P-dioxin
• CAS No.: 39227-61-7
• Molecular Formula: C₁₂H₃Cl₅O₂
• Molecular Weight: 356.42
• UNII: WAL6D1393Q
• DSSTox Substance ID: DTXSID6074041
• Nikkaji Number: J74.775K
• Wikidata: Q27292534
• ChEMBL ID: CHEMBL337805
• Mol file: 39227-61-7.mol

Synonyms:1,2,3,4,7-PENTACHLORODIBENZO-P-DIOXIN;39227-61-7;Dibenzo-p-dioxin, 1,2,3,4,7-pentachloro-;1,2,3,4,7-Pentachlorodibenzodioxin;BRN 5114377;UNII-WAL6D1393Q;1,2,3,4,7-Pentachlorodibenzo-para-dioxin;CHEMBL337805;WAL6D1393Q;Dibenzo(b,e)(1,4)dioxin, 1,2,3,4,7-pentachloro-;1,2,3,4,7-PENTACDD UNLABELED ~25 NG/ML IN NONANE;Dibenzo[b,e][1,4]dioxin, 1,2,3,4,7-pentachloro-;PCDD 50;DTXSID6074041;1,2,3,4,7-PECDD;BDBM50408317;1,2,3,4,7-PCDD;LS-61015;1,2,3,4,7-Penta-chlorodibenzo-p-dioxin;1,2,3,4,7-pentachloro dibenzo-p-dioxin;1,2,3,4,7-Pentachloro-dibenzo[1,4]dioxine;1,2,3,4,7-pentachlorodibenzo[b,e][1,4]dioxine;Q27292534

Chemical Property of 1,2,3,4,7-Pentachlorodibenzo-P-dioxin

Chemical Property:

• Vapor Pressure: 1.15E-07mmHg at 25°C
• Melting Point: 206°C (estimate)
• Refractive Index: 1.6610 (estimate)
• Boiling Point: 444.1°Cat760mmHg
• Flash Point: 171.8°C
• PSA: 18.46000
• Density: 1.714g/cm³
• LogP: 6.85160
• Water Solubility.: 0.165ug/L(26.0 oC)
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 355.854618
• Heavy Atom Count: 19
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4,7-PENTACHLORODIBENZO-P-DIOXIN 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)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl

Technology Process of 1,2,3,4,7-Pentachlorodibenzo-P-dioxin

There total 3 articles about 1,2,3,4,7-Pentachlorodibenzo-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:

→ 1,2,3,7,8-pentachlorodibenzodioxin (40321-76-4) + 1,2,3,7,9-pentachlorodibenzodioxin (71925-17-2) + 1,2,4,6,9-pentachlorodibenzo-p-dioxin (82291-36-9) + 1,2,3,4,7-pentachlorodibenzo-p-dioxin (39227-61-7)

Guidance literature:

With technical air; water; fly ash; at 300 ℃; for 0.5h; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1021/es971077z

Reference yield:

PVC, degree of polymerization: ca. 1100 → 1,2,4,6,9-pentachlorodibenzo-p-dioxin (82291-36-9) + 1,2,3,4,7-pentachlorodibenzo-p-dioxin (39227-61-7)

Guidance literature:

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

DOI:10.1016/j.chemosphere.2004.04.058

Reference yield:

pentachloro-phenol; potassium-compound (7778-73-6) + potassium salt of 2,4-dichlorophenol (50884-30-5) → 1,2,3,4,7-pentachlorodibenzo-p-dioxin (39227-61-7)

Guidance literature:

Further byproducts given; Heating; micropyrolysis;

DOI:10.1021/ac00267a034

upstream raw materials:

pentachloro-phenol; potassium-compound

potassium salt of 2,4-dichlorophenol

Refernces

• 1、 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.