Hexacene

Base Information

• Chemical Name: Hexacene
• CAS No.: 258-31-1
• Molecular Formula: C₂₆H₁₆
• Molecular Weight: 328.413
• Hs Code.: 2901299090
• DSSTox Substance ID: DTXSID00180457
• Nikkaji Number: J1.536.817I,J586.790H,J3.221.077E
• Wikipedia: Hexacene
• Wikidata: Q416144
• Metabolomics Workbench ID: 54837
• Mol file: 258-31-1.mol

Synonyms:Hexacene;258-31-1;Hexacene, Technical Grade;hexacen;CHEBI:33152;DTXSID00180457;2,10-Dihydrohexacene-2,10-diylradical;(6,15-Dihydrohexacene-6,15-diyl)radical;Q416144

Chemical Property of Hexacene

Chemical Property:

• Vapor Pressure: 6.64E-14mmHg at 25°C
• Melting Point: 380°C
• Refractive Index: 1.8430 (estimate)
• Boiling Point: 604.1°Cat760mmHg
• Flash Point: 314.6°C
• PSA: 0.00000
• Density: 1.263g/cm³
• LogP: 7.45260
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 328.125200510
• Heavy Atom Count: 26
• Complexity: 418

Purity/Quality:

99% ^*data from raw suppliers

Hexacene,TechnicalGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C=C4C=C5C=C6C=CC=CC6=CC5=CC4=CC3=CC2=C1
• Uses: Hexacene is a polycyclic aromatic hydrocarbon and have been investigated for potential application as organic semiconductor. Hexacene was also shown to be an environmental pollutant and possess potent ial carcinogenic properties. Hexacene is a polycyclic aromatic hydrocarbon and have been investigated for potential application as organic semiconductor. Hexacene was also shown to be an environmental pollutant and possess potential carcinogenic properties.

Technology Process of Hexacene

There total 13 articles about Hexacene 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:

C27H16O (1159667-71-6) → hexacene (258-31-1)

Guidance literature:

In neat (no solvent, solid phase); at 180 ℃; Inert atmosphere;

Reference yield:

6,15-dihydro-hexacene (40476-38-8) → hexacene (258-31-1)

Guidance literature:

With copper; at 320 ℃; under 7 Torr;

Reference yield:

Δ4a(16a),7a(13a)-docosahydro-hexacene → hexacene (258-31-1)

Guidance literature:

With palladium on activated charcoal; at 330 ℃;

DOI:10.1021/ja01609a055

upstream raw materials:

6,15-dihydro-hexacene

5,16-dihydro-hexacene

1,2,3-trichlorobenzene

Δ^{4a(16a),7a(13a)}-eicosahydro-hexacene-6,15-dione

Refernces

• 1、 Busby, Erik,Berkelbach, Timothy C.,Kumar, Bharat,Chernikov, Alexey,Zhong, Yu,Hlaing, Htay,Zhu,Heinz, Tony F.,Hybertsen, Mark S.,Sfeir, Matthew Y.,Reichman, David R.,Nuckolls, Colin,Yaffe, Omer. "Multiphonon relaxation slows singlet fission in crystalline hexacene". . p. 10654 - 10660. Retrieved 2014.
• 2、 -. "HEXACENE DERIVATIVE, METHOD FOR FORMING HEXACENE, METHOD FOR FORMING HEXACENE CRYSTAL, PROCESS FOR MAKING ORGANIC SEMICONDUCTOR DEVICE, AND ORGANIC SEMICONDUCTOR DEVICE". . . Retrieved 2014/05/20.