Hexabenzo[bc,ef,hi,kl,no,qr]coronene

Base Information

• Chemical Name: Hexabenzo[bc,ef,hi,kl,no,qr]coronene
• CAS No.: 190-24-9
• Molecular Formula: C42H18
• Molecular Weight: 522.605
• Hs Code.: 2914399090
• NSC Number: 91579
• UNII: 8TZ95D8GP4
• DSSTox Substance ID: DTXSID30172446
• Nikkaji Number: J1.063.917D
• Wikipedia: Hexabenzocoronene
• Wikidata: Q5748616
• Mol file: 190-24-9.mol

Synonyms:hexa-peri-hexabenzocoronene

Chemical Property of Hexabenzo[bc,ef,hi,kl,no,qr]coronene

Chemical Property:

• Melting Point: >600 °C
• Refractive Index: 2.402
• PSA: 0.00000
• Density: 1.633 g/cm³
• LogP: 12.15180
• XLogP3: 12
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 522.140850574
• Heavy Atom Count: 42
• Complexity: 864

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4,5,6.7,8,9,10,11,12-HEXABENZOCORONENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C=CC=C4C3=C5C6=C2C(=C1)C7=C8C6=C9C1=C(C8=CC=C7)C=CC=C1C1=CC=CC2=C1C9=C5C1=C4C=CC=C21

Technology Process of Hexabenzo[bc,ef,hi,kl,no,qr]coronene

There total 10 articles about Hexabenzo[bc,ef,hi,kl,no,qr]coronene 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: 99.8%

1,2,3,4-tetraphenyltriphenylene (36262-81-4) → hexabenzocoronene (190-24-9)

Guidance literature:

With iron(III) chloride; In nitromethane; dichloromethane; for 2h; Inert atmosphere;

Reference yield: 95.0%

hexaphenylbenzene (992-04-1) → hexabenzocoronene (190-24-9)

Guidance literature:

With iron(III) chloride; In nitromethane; dichloromethane; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/jacs.5b06493

Reference yield: 80.0%

3,5-di(2-biphenylyl)-o-terphenyl (16322-10-4) → hexabenzocoronene (190-24-9)

Guidance literature:

With iron(III) chloride; In nitromethane; dichloromethane; for 1h;

DOI:10.1021/ol053043z

upstream raw materials:

hexaphenylbenzene

hexabenzo[a,cd,f,j,lm,o]perylene

8H-benzo[fg]naphthacene

benzo[fg]naphthacen-8-one

Downstream raw materials:

pyrographite

Refernces

• 1、 Liu, Ruili,Wu, Dongqing,Feng, Xinliang,Muellen, Klaus. "Bottom-up fabrication of photoluminescent graphene quantum dots with uniform morphology". . p. 15221 - 15223. Retrieved 2011.
• 2、 Rempala, Pawel,Kroulik, Jiri,King, Benjamin T.. "Investigation of the mechanism of the intramolecular Scholl reaction of contiguous phenylbenzenes". . p. 5067 - 5081. Retrieved 2006.
• 3、 R?se, Philipp,Emge, Steffen,K?nig, Christoph Alexander,Hilt, Gerhard. "Efficient Oxidative Coupling of Arenes via Electrochemical Regeneration of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) under Mild Reaction Conditions". . p. 1359 - 1372. Retrieved 2017/04/18.