Dodecachlorocoronene

Base Information

• Chemical Name: Dodecachlorocoronene
• CAS No.: 94227-23-3
• Molecular Formula: C24Cl12
• Molecular Weight: 713.7
• DSSTox Substance ID: DTXSID10557873
• Nikkaji Number: J954.775D
• Wikidata: Q82439927

Synonyms:perchlorocoronene;94227-23-3;DODECACHLOROCORONENE;DTXSID10557873

Chemical Property of Dodecachlorocoronene

Chemical Property:

• XLogP3: 15
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 713.617382
• Heavy Atom Count: 36
• Complexity: 675

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12=C3C4=C5C6=C1C7=C(C(=C6C(=C(C5=C(C(=C4C(=C(C3=C(C(=C2C(=C7Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl

Technology Process of Dodecachlorocoronene

There total 1 articles about Dodecachlorocoronene 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: 93.0%

Coronene (191-07-1) → 1,2,3,4,5,6,7,8,9,10,11,12-dodecakischlorocoronene (94227-23-3)

Guidance literature:

With aluminum (III) chloride; Iodine monochloride; In tetrachloromethane; at 81 ℃; for 48h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.6b12630

Reference yield: 97.0%

4-isopropyloxythiophenol (702-12-5) + 1,2,3,4,5,6,7,8,9,10,11,12-dodecakischlorocoronene (94227-23-3) → C132H132O12S12

Guidance literature:

With 1,3-dimethyl-2-imidazolidinone; sodium hydride; at 25 ℃; for 72h;

DOI:10.1002/chem.200305605

Reference yield: 62.0%

phenylmethanethiol (100-53-8) + 1,2,3,4,5,6,7,8,9,10,11,12-dodecakischlorocoronene (94227-23-3) → 1,2,3,4,5,6,7,8,9,10,11,12-dodecakis(benzylthio)coronene

Guidance literature:

phenylmethanethiol; With sodium hydride; at 0 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

1,2,3,4,5,6,7,8,9,10,11,12-dodecakischlorocoronene; at 0 - 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.6b12630

upstream raw materials:

Coronene

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