1,4-Dichlorodibenzo-p-dioxin

Base Information

• Chemical Name: 1,4-Dichlorodibenzo-p-dioxin
• CAS No.: 54536-19-5
• Molecular Formula: C₁₂H₆Cl₂O₂
• Molecular Weight: 253.084
• UNII: JPN17Q7404
• DSSTox Substance ID: DTXSID50202951
• Nikkaji Number: J460.763E
• Wikidata: Q27281623
• Mol file: 54536-19-5.mol

Synonyms:1,4-dichlorodibenzo-p-dioxin;54536-19-5;PCDD 5;UNII-JPN17Q7404;Dibenzo-p-dioxin, 1,4-dichloro;JPN17Q7404;DTXSID50202951;1,4-Dichlorodibenzo[1,4]dioxin;MBMUPQZSDWVPQU-UHFFFAOYSA-N;Q27281623

Chemical Property of 1,4-Dichlorodibenzo-p-dioxin

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Boiling Point: 346.3°Cat760mmHg
• Flash Point: 138.2°C
• Density: 1.47g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 251.9744848
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)OC3=C(C=CC(=C3O2)Cl)Cl

Technology Process of 1,4-Dichlorodibenzo-p-dioxin

There total 2 articles about 1,4-Dichlorodibenzo-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:

municipal waste → 2,3-dichloro-dibenzo[1,4]dioxine (29446-15-9) + 2,8-dichlorodibenzodioxin (38964-22-6) + 1,4-dichlorodibenzo-p-dioxin (54536-19-5) + 2,6-dichlorodibenzo-p-dioxin (82291-26-7)

Guidance literature:

With oxygen; at 350 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00223-X

Reference yield:

1,2,3,4,-tetrachlorobenzene (634-66-2) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 1,2-dichlorodibenzo-p-dioxin (54536-18-4) + 1,4-dichlorodibenzo-p-dioxin (54536-19-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 3.75h; Heating;

upstream raw materials:

1,2,3,4,-tetrachlorobenzene

benzene-1,2-diol