1,2,3,4,5-Pentachloro-6,7,8-tris(pentachlorophenyl)naphthalene

Base Information

• Chemical Name: 1,2,3,4,5-Pentachloro-6,7,8-tris(pentachlorophenyl)naphthalene
• CAS No.: 66341-44-4
• Molecular Formula: C₂₈Cl₂₀
• Molecular Weight: 1045.37
• DSSTox Substance ID: DTXSID10503234
• Wikidata: Q82356891
• Mol file: 66341-44-4.mol

Synonyms:66341-44-4;DTXSID10503234;1,2,3,4,5-Pentachloro-6,7,8-tris(pentachlorophenyl)naphthalene;perchloro-1,2,3-triphenylnaphthalene

Chemical Property of 1,2,3,4,5-Pentachloro-6,7,8-tris(pentachlorophenyl)naphthalene

Chemical Property:

• XLogP3: 20.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 1045.362303
• Heavy Atom Count: 48
• Complexity: 1070

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C2=C1C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)Cl)C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)Cl

Technology Process of 1,2,3,4,5-Pentachloro-6,7,8-tris(pentachlorophenyl)naphthalene

There total 2 articles about 1,2,3,4,5-Pentachloro-6,7,8-tris(pentachlorophenyl)naphthalene 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: 42.0%

perchlorotolane (20094-80-8) → perchloro-1,2,3-triphenylnaphthalene (66341-44-4) + perchloro-5,10-diphenylideno<2,1-a>indene (72760-93-1) + (E)-perchloro-2,3,8-triphenylbenzofulvene (76570-99-5)

Guidance literature:

at 350 - 360 ℃; for 0.75h;

DOI:10.1021/jo00357a030

Reference yield:

cis-perchlorostilbene (76570-98-4) → perchloro-1,2,3-triphenylnaphthalene (66341-44-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / copper dust / 310 °C

2: 30 percent / 350 - 360 °C

copper;

DOI:10.1016/S0040-4039(00)78624-2

Reference yield:

perchloro-1,2,3-triphenylnaphthalene (66341-44-4) → perchloro-1,2,3-triphenyl-3,4-dihydronaphthalene (100231-18-3)

Guidance literature:

With chlorine; In tetrachloromethane; Heating; Irradiation;

DOI:10.1021/jo00357a030

upstream raw materials:

perchlorotolane

cis-perchlorostilbene

Downstream raw materials:

perchloro-1,2,3-triphenyl-3,4-dihydronaphthalene