Benzo[a]pentacene

Base Information

• Chemical Name: Benzo[a]pentacene
• CAS No.: 239-98-5
• Molecular Formula: C26H16
• Molecular Weight: 328.413
• Hs Code.: 2902909090
• European Community (EC) Number: 205-951-7
• DSSTox Substance ID: DTXSID50178602
• Nikkaji Number: J193.686G
• Wikidata: Q83049058
• Mol file: 239-98-5.mol

Synonyms:Benzo[a]pentacene;Benzo(a)pentacene;239-98-5;Isohexaphene;EINECS 205-951-7;hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;DTXSID50178602

Chemical Property of Benzo[a]pentacene

Chemical Property:

• Vapor Pressure: 6.64E-14mmHg at 25°C
• Boiling Point: 604.1°C at 760 mmHg
• Flash Point: 314.6°C
• PSA: 0.00000
• Density: 1.263g/cm³
• LogP: 7.45260
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 328.125200510
• Heavy Atom Count: 26
• Complexity: 508

Purity/Quality:

98%min ^*data from raw suppliers

BENZO[A]PENTACENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=CC4=CC5=CC6=CC=CC=C6C=C5C=C4C=C32

Technology Process of Benzo[a]pentacene

There total 3 articles about Benzo[a]pentacene 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:

→ 1,2-benzopentacene (239-98-5)

Guidance literature:

With sodium chloride; zinc(II) chloride; zinc; at 300 ℃; Kochen des Reaktionsprodukts mit Chloranil in Xylol;

Reference yield:

2-Benzyl-5-<5,6,7,8-tetrahydro-naphthyl-(2)-methyl>-terephthalsaeure (95945-17-8) → 1,2-benzopentacene (239-98-5)

Guidance literature:

Multistep reaction; (i) Zn, ZnCl₂, NaCl, (ii) Pd-C;

Reference yield:

benzo[a]pentacene-7,9,14,16-tetraone (124108-29-8) → 1,2-benzopentacene (239-98-5)

Guidance literature:

Erhitzen des Reaktionsprodukts mit Chloranil in Xylol;

upstream raw materials:

2-Benzyl-5-<5,6,7,8-tetrahydro-naphthyl-(2)-methyl>-terephthalsaeure

benzo[a]pentacene-7,9,14,16-tetraone