1,2,3,4-Tetrachlorodibenzo-P-dioxin

Base Information

• Chemical Name: 1,2,3,4-Tetrachlorodibenzo-P-dioxin
• CAS No.: 30746-58-8
• Molecular Formula: C12H4 Cl4 O2
• Molecular Weight: 321.975
• Hs Code.: 2932999060
• European Community (EC) Number: 690-153-5
• UN Number: 2811
• UNII: HF5S8P28CC
• DSSTox Substance ID: DTXSID7074030
• Nikkaji Number: J74.777G
• Wikidata: Q27103331
• Metabolomics Workbench ID: 51457
• ChEMBL ID: CHEMBL343583
• Mol file: 30746-58-8.mol

Synonyms:1,2,3,4-TCDD;1,2,3,4-tetrachlorodibenzo-p-dioxin;1,2,3,4-tetrachlorodibenzodioxin

Chemical Property of 1,2,3,4-Tetrachlorodibenzo-P-dioxin

Chemical Property:

• Vapor Pressure: 1.16E-06mmHg at 25°C
• Melting Point: 189°C
• Refractive Index: 1.6430 (estimate)
• Boiling Point: 413.3°Cat760mmHg
• Flash Point: 161.9°C
• PSA: 18.46000
• Density: 1.643g/cm³
• LogP: 6.19820
• Water Solubility.: 0.55ug/L(25 oC)
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 321.893590
• Heavy Atom Count: 18
• Complexity: 287
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4-TETRACHLORODIBENZO-PARA-DIOXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
• Uses: 1,?2,?3,?4-?Tetrachlorodibenzo-?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 such as from waste incineration plant emissions.

Technology Process of 1,2,3,4-Tetrachlorodibenzo-P-dioxin

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

→ 1,2,3,4-tetrachloro-dibenzo[1,4]dioxine (30746-58-8) + 1,2,3,8-tetrachlorodibenzo-p-dioxin (53555-02-5) + 2,3,7,8-Tetrachloro-dibenzo[1,4]dioxine (1746-01-6,56795-67-6) + 1,2,3,7-tetrachlorodibenzo-p-dioxin (67028-18-6)

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) → 1,2,3,4-tetrachloro-dibenzo[1,4]dioxine (30746-58-8) + 1,4,7,8-tetrachlorodioxine (40581-94-0) + 1,2,4,6-tetrachlorodibenzo-p-dioxin (71669-27-7) + 1,2,4,9-tetrachlorodibenzo-p-dioxin (71665-99-1)

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 → 1,2,3,4-tetrachloro-dibenzo[1,4]dioxine (30746-58-8) + 1,2,3,8-tetrachlorodibenzo-p-dioxin (53555-02-5) + 1,2,4,6-tetrachlorodibenzo-p-dioxin (71669-27-7) + 1,2,4,9-tetrachlorodibenzo-p-dioxin (71665-99-1)

Guidance literature:

With copper chloride; at 900 ℃; Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1016/j.chemosphere.2004.04.058

upstream raw materials:

acetylene

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