1,2,3,4,6,7-Hexachloronaphthalene

Base Information

• Chemical Name: 1,2,3,4,6,7-Hexachloronaphthalene
• CAS No.: 103426-96-6
• Molecular Formula: C₁₀H₂Cl₆
• Molecular Weight: 334.844
• UNII: YZK13CUI5E
• DSSTox Substance ID: DTXSID6036885
• Nikkaji Number: J570.945H
• Wikidata: Q27894116
• Mol file: 103426-96-6.mol

Synonyms:1,2,3,4,6,7-hexachlorinated naphthalene;1,2,3,4,6,7-hexachloronaphthalene;1,2,3,4,6,7-HxCN;PCN 66

Chemical Property of 1,2,3,4,6,7-Hexachloronaphthalene

Chemical Property:

• Vapor Pressure: 7.86E-06mmHg at 25°C
• Boiling Point: 386.5°C at 760 mmHg
• Flash Point: 192.5°C
• PSA: 0.00000
• Density: 1.714g/cm³
• LogP: 6.76020
• Solubility.: Chloroform (Slightly)
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 333.825816
• Heavy Atom Count: 16
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4,6,7-HEXACHLORONAPHTHALENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A reproductive hazard.
• Hazard Codes: A reproductive hazard.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl
• Uses: 1,2,3,4,6,7-Hexachloronaphthalene is a persistent organohalogenated pollutant found in the air and wastewater.

Technology Process of 1,2,3,4,6,7-Hexachloronaphthalene

There total 3 articles about 1,2,3,4,6,7-Hexachloronaphthalene 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:

naphthalene (91-20-3,71998-51-1,72931-45-4) → 1,2,3,4,6,7-hexachloronaphthalene (103426-96-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 79 percent / sulfur monochloride, sulfuryl chloride, aluminium chloride / 5 h / Heating

2: 81 percent / diisopropyl ether / Heating

3: LiAlH₄ / tetrahydrofuran / 1 h / Ambient temperature

With lithium aluminium tetrahydride; aluminium trichloride; sulfuryl dichloride; sulfur monochloride; In tetrahydrofuran; di-isopropyl ether;

Reference yield:

decachloro-1,4-dihydronaphthalene (14396-29-3) → 1,2,3,4,6,7-hexachloronaphthalene (103426-96-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / diisopropyl ether / Heating

2: LiAlH₄ / tetrahydrofuran / 1 h / Ambient temperature

With lithium aluminium tetrahydride; In tetrahydrofuran; di-isopropyl ether;

Reference yield:

octachloronaphthalene (2234-13-1) → 1,2,3,5,6,7-hexachloronaphthalene (103426-97-7) + 1,2,3,4,6,7-hexachloronaphthalene (103426-96-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h; Yield given. Yields of byproduct given; Ambient temperature;

upstream raw materials:

octachloronaphthalene

naphthalene

decachloro-1,4-dihydronaphthalene

Refernces