1,2,3,4,6,7,9-Heptachlorodibenzo-P-dioxin

Base Information

• Chemical Name: 1,2,3,4,6,7,9-Heptachlorodibenzo-P-dioxin
• CAS No.: 58200-70-7
• Molecular Formula: C12H Cl7 O2
• Molecular Weight: 425.31
• UN Number: 2811
• UNII: D157DW362A
• DSSTox Substance ID: DTXSID40973764
• Nikkaji Number: J74.771H
• Wikidata: Q27275960
• Mol file: 58200-70-7.mol

Synonyms:1,2,3,4,6,7,9-HEPTACHLORODIBENZO-P-DIOXIN;58200-70-7;Dibenzo-p-dioxin, 1,2,3,4,6,7,9-heptachloro-;1,2,3,4,6,7,9-Heptachlorodibenzodioxin;BRN 1630270;UNII-D157DW362A;Dibenzo(b,e)(1,4)dioxin, 1,2,3,4,6,7,9-heptachloro-;1,2,3,4,6,7,9-Heptachlorodibenzo-para-dioxin;D157DW362A;1,2,3,4,6,7,9-HpCDD;Dibenzo[b,e][1,4]dioxin, 1,2,3,4,6,7,9-heptachloro-;PCDD 74;SCHEMBL8858507;DTXSID40973764;LS-61002;1,2,3,4,6,7,9-HEPTACHLOROOXANTHRENE;Q27275960

Chemical Property of 1,2,3,4,6,7,9-Heptachlorodibenzo-P-dioxin

Chemical Property:

• Vapor Pressure: 1.34E-09mmHg at 25°C
• Melting Point: 265°C (estimate)
• Refractive Index: 1.6710 (estimate)
• Boiling Point: 498.9°C at 760 mmHg
• Flash Point: 187.5°C
• PSA: 18.46000
• Density: 1.834g/cm³
• LogP: 8.15840
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 423.776673
• Heavy Atom Count: 21
• Complexity: 400
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4,6,7,9-HEPTACHLORODIBENZO-P-DIOXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C2=C(C(=C1Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl)Cl

Technology Process of 1,2,3,4,6,7,9-Heptachlorodibenzo-P-dioxin

There total 20 articles about 1,2,3,4,6,7,9-Heptachlorodibenzo-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:

Pentachlorophenol (87-86-5,67471-28-7) → 1,2,3,4,6,7,9-heptachlorodibenzo-p-dioxin (58200-70-7) + HpCDD 1234678 (35822-46-9) + hexachlorobenzene (118-74-1,67471-27-6) + 2,3,5,6-tetrachlorophenol (935-95-5) + 2,3,4,5-tetrachlorophenol (4901-51-3) + 2,3,4,6-tetrachlorophenol (58-90-2)

Guidance literature:

at 990 ℃; for 0.00555556h; Product distribution; Mechanism; other polychlorophenols and their sodium salts, other temp. and times;

Reference yield:

extracted fly ash → 1,2,3,6,7,8-hexachlorodibenzodioxin (19408-74-3) + 1,2,3,4,6,7,9-heptachlorodibenzo-p-dioxin (58200-70-7) + HpCDD 1234678 (35822-46-9) + tetrachlorinated dibenzodioxins; mixture of

Guidance literature:

With oxygen; pyrographite; sodium chloride; at 340 ℃; Further Variations:; percentage of O2 in N2+O2 mixture; Product distribution; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00433-1

Reference yield:

acetylene (74-86-2,25067-58-7) → 1,2,6,7-tetrachlorodioxine (40581-90-6) + 1,2,8,9-tetrachloro-dibenzo[1,4]dioxine (62470-54-6) + 1,2,3,4,6,7,9-heptachlorodibenzo-p-dioxin (58200-70-7) + HpCDD 1234678 (35822-46-9)

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

upstream raw materials:

Pentachlorophenol

pentachloro-phenol; potassium-compound

potassium salt of 2,3,5,6-tetrachlorophenol

2,3,4,6-tetrachlorophenol