Benzo[k]fluoranthene-7,12-dicarbonitrile

Base Information

• Chemical Name: Benzo[k]fluoranthene-7,12-dicarbonitrile
• CAS No.: 72851-41-3
• Molecular Formula: C₂₂H₁₀N₂
• Molecular Weight: 302.335
• Hs Code.: 2926909090
• European Community (EC) Number: 879-022-5
• DSSTox Substance ID: DTXSID00369321
• Wikidata: Q82156368
• Mol file: 72851-41-3.mol

Synonyms:benzo[k]fluoranthene-7,12-dicarbonitrile;72851-41-3;7,12-DICYANOBENZO[K]FLUORANTHENE;starbld0001949;DTXSID00369321;AKOS030240200

Chemical Property of Benzo[k]fluoranthene-7,12-dicarbonitrile

Chemical Property:

• Vapor Pressure: 2.54E-14mmHg at 25°C
• Refractive Index: 1.7620 (estimate)
• Boiling Point: 599.3°C at 760 mmHg
• Flash Point: 299.6°C
• PSA: 47.58000
• Density: 1.38g/cm³
• LogP: 5.38376
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 302.084398327
• Heavy Atom Count: 24
• Complexity: 554

Purity/Quality:

97% ^*data from raw suppliers

Benzo[k]fluoranthene-7,12-dicarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C3C4=CC=CC5=C4C(=CC=C5)C3=C2C#N)C#N

Technology Process of Benzo[k]fluoranthene-7,12-dicarbonitrile

There total 1 articles about Benzo[k]fluoranthene-7,12-dicarbonitrile 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-phenylenediacetonitrile (613-73-0) + acenaphthene quinone (82-86-0) → 7,12-dicyano-benzofluoranthene (72851-41-3)

Guidance literature:

DOI:10.1021/ja01145a140

Reference yield:

7,12-dicyano-benzofluoranthene (72851-41-3) → 12-{5-(p-(n-butyl)phenyl)amino-4-[(p-(n-butyl)phenyl)imino]-4H-imidazol-2-yl}-benzo[k]fluoranthene-7-carbonitrile (1001405-99-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 96 h / 20 °C

1.2: toluene / 12 h / 110 °C

2.1: KF; 18-crown-6-ether / tetrahydrofuran / 3 h / 40 - 50 °C

With potassium fluoride; 18-crown-6 ether; In tetrahydrofuran;

DOI:10.3390/12040723

Reference yield:

7,12-dicyano-benzofluoranthene (72851-41-3) → C6H12C16H15N3C20H10C2N2H2

Guidance literature:

Multi-step reaction with 3 steps

1.1: tetrahydrofuran / 96 h / 20 °C

1.2: toluene / 12 h / 110 °C

2.1: KF; 18-crown-6-ether / tetrahydrofuran / 3 h / 40 - 50 °C

3.1: sodium dithionite / tetrahydrofuran

With potassium fluoride; sodium dithionite; 18-crown-6 ether; In tetrahydrofuran;

DOI:10.3390/12040723

upstream raw materials:

1,2-phenylenediacetonitrile

acenaphthene quinone

Downstream raw materials:

12-{5-(p-(n-butyl)phenyl)amino-4-[(p-(n-butyl)phenyl)imino]-4H-imidazol-2-yl}-benzo[k]fluoranthene-7-carbonitrile

12-{5-(p-(tert-butyl)phenyl)amino-4-[(p-(tert-butyl)phenyl)imino]-4H-imidazol-2-yl}-benzo[k]fluoranthene-7-carbonitrile

7,12-dimethylbenzofluoranthene