1,2,3-Trichlorodibenzo-p-dioxin

Base Information

• Chemical Name: 1,2,3-Trichlorodibenzo-p-dioxin
• CAS No.: 54536-17-3
• Molecular Formula: C12H5Cl3O2
• Molecular Weight: 287.5259
• UNII: 3428IVQ29V
• DSSTox Substance ID: DTXSID80202949
• Nikkaji Number: J460.767H
• Wikidata: Q27256317
• Mol file: 54536-17-3.mol

Synonyms:1,2,3-trichlorodibenzo-p-dioxin;54536-17-3;Dibenzo-p-dioxin, 1,2,3-trichloro;3428IVQ29V;UNII-3428IVQ29V;trichlorodibenzo-p-dioxin;Dibenzo(b,e)(1,4)dioxin, 1,2,3-trichloro-;PCDD 13;SCHEMBL2886579;DTXSID80202949;SKMFBGZVVNDVFR-UHFFFAOYSA-N;1,2,3-trichlorodibenzo[b,e][1,4]dioxine;Q27256317

Chemical Property of 1,2,3-Trichlorodibenzo-p-dioxin

Chemical Property:

• Vapor Pressure: 8.88E-06mmHg at 25°C
• Boiling Point: 384.7°Cat760mmHg
• Flash Point: 152.8°C
• PSA: 18.46000
• Density: 1.562g/cm³
• LogP: 5.54480
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 285.935512
• Heavy Atom Count: 17
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

1,2,3-Trichlorodibenzo-p-dioxin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)OC3=CC(=C(C(=C3O2)Cl)Cl)Cl
• Uses: 1,2,3-Trichlorodibenzo-p-dioxin is a standard for environmental testing and research such as in the impact of polychlorinated dibenzo-p-dioxins in the environment as pollutants.

Technology Process of 1,2,3-Trichlorodibenzo-p-dioxin

There total 2 articles about 1,2,3-Trichlorodibenzo-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 → 2,3,7-trichlorodibenzodioxin (33857-28-2) + 1,2,3-trichlorodibenzo-p-dioxin (54536-17-3) + 1,3,9-trichlorodibenzodioxin + 1,4,8-trichlorodibenzo-p-dioxin (82306-64-7)

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:

artificial municipal solid waste → 1,2,3-trichlorodibenzo-p-dioxin (54536-17-3) + 1,7,8-trichlorodibenzo-p-dioxin (82306-65-8) + tetrachlorinated dibenzo-p-dioxins; mixture of + trichlorinated dibenzo-p-dioxins; mixture of

Guidance literature:

With air; Further byproducts given; Formation of xenobiotics;

DOI:10.1016/S0045-6535(99)00347-1

Refernces

• 1、 Gullett, Brian K.,Wikstroem, Evalena. "Mono- to tri-chlorinated dibenzodioxin (CDD) and dibenzofuran (CDF) congeners/homologues as indicators of CDD and CDF emissions from municipal waste and waste/coal combustion". . p. 1015 - 1019. Retrieved 2007/10/03.