Coronene

Base Information

• Chemical Name: Coronene
• CAS No.: 191-07-1
• Molecular Formula: C24H12
• Molecular Weight: 300.359
• Hs Code.: 29029090
• European Community (EC) Number: 205-881-7
• NSC Number: 90725
• UNII: 7YY0X5XT1W
• DSSTox Substance ID: DTXSID5047740
• Nikkaji Number: J5.877G
• Wikipedia: Coronene
• Wikidata: Q420614
• Metabolomics Workbench ID: 54112
• Mol file: 191-07-1.mol

Synonyms:coronene

Chemical Property of Coronene

Chemical Property:

• Appearance/Colour: yellow to gold fibrous powder
• Vapor Pressure: 1.3E-10mmHg at 25°C
• Melting Point: 428 °C
• Refractive Index: 2.139
• Boiling Point: 525.6 °C at 760 mmHg
• Flash Point: 265.238 °C
• PSA: 0.00000
• Density: 1.467 g/cm³
• LogP: 6.91920
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 0.1ug/L(25 oC)
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 300.093900383
• Heavy Atom Count: 24
• Complexity: 376

Purity/Quality:

95% ^*data from raw suppliers

Coronene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,F
• Hazard Codes: Xn,F
• Statements: 20/21/22-67-65-63-48/20-38-11
• Safety Statements: 36/37-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7
• Uses: Coronene is a polycyclic aromatic hydrocarbon found in smoked fish and was examined for potential toxic and carcinogenic effects. Ultraviolet phosphor for charge-coupled devices. Used to synthesize MBE-grown layered superconductors.

Technology Process of Coronene

There total 41 articles about 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: 86.0%

9,10-dihydro-9,10-di(penta-1,4-diyn-3-ylidene)anthracene (681164-24-9) → Coronene (191-07-1)

Guidance literature:

With TpRuPPh₃(CH₃CN)PF₆; In 1,2-dichloro-ethane; at 80 ℃; for 36h;

DOI:10.1021/jo0512599

Reference yield: 82.0%

7-benzoperyleneacetaldehyde diethyl acetal → Coronene (191-07-1)

Guidance literature:

With sulfuric acid; In methanol; for 0.5h; sonificated;

DOI:10.1021/jo951555t

Reference yield: 80.0%

C32H36O4 → Coronene (191-07-1)

Guidance literature:

With methanesulfonic acid; In dichloromethane; at -7 - 20 ℃; for 1.5h; Reagent/catalyst;

upstream raw materials:

[2.2.2]paracyclophane

dibenzo[bc,kl]coronene

1,2-coronene-dione

3,4-Coronen-dicarbonsaeure-anhydrid

Downstream raw materials:

tetracosahydro-coronene

1,2,5,6,9,10-hexahydro-coronene

1,2,5,6-Tetrahydro-coronene

1,2,2a,4a,5,6,9,10,12c,12d-Decahydro-coronene

Refernces

• 1、 Krusic,Wasserman. "Coronene Dication: A Thermally Accessible Triplet". . p. 2322 - 2323. Retrieved 1991.
• 2、 Kozinski, Janusz A.,Zheng, Guohui,Uloth, Vic,Gangli, Peter,Hutny, Wes. "Analysis of hydrocarbons and ash particles formed from contaminated industrial biowaste under combustion-like conditions". . p. 4318 - 4325. Retrieved 1999.
• 3、 -. "Method for preparing coronene compound from non-cyclic olefin". Paragraph 0067; 0070; 0083-0085. . Retrieved 2020/10/30.
• 4、 -. "Organic compound and 3-dimensional organic framework formed using the same". Paragraph 0321; 0326; 0331; 0332. . Retrieved 2018/07/07.