2-Fluorobenzopentaphene

Base Information

• Chemical Name: 2-Fluorobenzopentaphene
• CAS No.: 73368-38-4
• Molecular Formula: C₂₄H₁₃F
• Molecular Weight: 320.366
• DSSTox Substance ID: DTXSID00223611
• Nikkaji Number: J518.587D
• Wikidata: Q83102072
• Mol file: 73368-38-4.mol

Synonyms:2-fluorobenzo(a,i)pyrene;2-fluorobenzo(rst)pentaphene;2-fluorobenzopentaphene

Chemical Property of 2-Fluorobenzopentaphene

Chemical Property:

• Vapor Pressure: 8.82E-12mmHg at 25°C
• Boiling Point: 554.8°C at 760 mmHg
• Flash Point: 251.9°C
• PSA: 0.00000
• Density: 1.366g/cm³
• LogP: 7.02950
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 320.100128577
• Heavy Atom Count: 25
• Complexity: 514

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C6C=C(C=CC6=C5)F)C=C3

Technology Process of 2-Fluorobenzopentaphene

There total 3 articles about 2-Fluorobenzopentaphene 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:

(4-Fluoro-phenyl)-(7-oxo-7H-benzo[de]anthracen-4-yl)-acetonitrile → 2-Fluorodibenzopyrene (73368-38-4)

Guidance literature:

Multi-step reaction with 3 steps

1: Na₂Cr₂O₇ / acetic acid

2: AlCl₃, KCl, NaCl, 3-nitro-benzoic acid

3: Al, HgCl₂

With aluminium trichloride; sodium dichromate; potassium chloride; aluminium; sodium chloride; mercury dichloride; 3-nitrobenzoic acid; In acetic acid;

DOI:10.1002/jlcr.2580160416

Reference yield:

2-Fluorbenzopentaphen-5,8-dion (73607-99-5) → 2-Fluorodibenzopyrene (73368-38-4)

Guidance literature:

With aluminium; mercury dichloride;

DOI:10.1002/jlcr.2580160416

Reference yield:

4--7H-benzanthracen-7-on (73607-98-4) → 2-Fluorodibenzopyrene (73368-38-4)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃, KCl, NaCl, 3-nitro-benzoic acid

2: Al, HgCl₂

With aluminium trichloride; potassium chloride; aluminium; sodium chloride; mercury dichloride; 3-nitrobenzoic acid;

DOI:10.1002/jlcr.2580160416

upstream raw materials:

2-Fluorbenzopentaphen-5,8-dion

4--7H-benzanthracen-7-on

Refernces