Benzo[k]fluoranthene

Base Information

• Chemical Name: Benzo[k]fluoranthene
• CAS No.: 207-08-9
• Deprecated CAS: 68756-79-6
• Molecular Formula: C20H12
• Molecular Weight: 252.315
• Hs Code.: 29029000
• European Community (EC) Number: 205-916-6
• ICSC Number: 0721
• UN Number: 2811,3082
• UNII: U0P6LY48VF
• DSSTox Substance ID: DTXSID0023909
• Nikkaji Number: J35.618B
• Wikipedia: Benzo(k)fluoranthene
• Wikidata: Q550039
• NCI Thesaurus Code: C44337
• ChEMBL ID: CHEMBL1441574
• Mol file: 207-08-9.mol

Synonyms:benzo(k)fluoranthene

Chemical Property of Benzo[k]fluoranthene

Chemical Property:

• Appearance/Colour: YELLOW CRYSTALS
• Vapor Pressure: 9.59 x 10-11 mmHg at 25 °C (extrapolated from vapor pressures determined at higher temperatures, Puppet al., 1974)
• Melting Point: 215-217 °C(lit.)
• Refractive Index: 1.8390 (estimate)
• Boiling Point: 480 °C
• PKA: >15 (Christensen et al., 1975)
• Flash Point: 228.6 °C
• PSA: 0.00000
• Density: 1.286 g/cm³
• LogP: 5.64040
• Storage Temp.: APPROX 4°C
• Solubility.: 95% ethanol:
• Water Solubility.: 1.09 μg/L at 25 °C (de Maagd et al., 1998)
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 252.093900383
• Heavy Atom Count: 20
• Complexity: 338
• Transport DOT Label: Poison

Purity/Quality:

99.9% ^*data from raw suppliers

Benzo[k]fluoranthene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Confirmed carcinogen.
• Hazard Codes: T,N,Xn,F
• Statements: 45-50/53-40-67-65-38-11-66-36-52/53-36/37/38-20
• Safety Statements: 53-45-60-61-36/37-62-26-16-24/25-23-33-25-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC=C2C=C3C4=CC=CC5=C4C(=CC=C5)C3=CC2=C1
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly.
• Effects of Long Term Exposure: This substance is possibly carcinogenic to humans.
• Description: Synonyms for benzo(k)fluoranthene (BkF) include 8,9-benzfluoranthene, 8,9-benzofluoranthene, 1 1.12-benzofiuoranthene, 2,3,1,8-binaphthylene and dibenzo(bjk)fluorene. Its molecular weight is 252.32 and molecular formula C20H12. It is characterized by four benzene rings in various configurations containing only carbon and hydrogen atoms. It was absorbed through the skin, lungs, and gastrointestinal tract. In industrial processes it is considered to be environmental pollutants.
• Uses: Benzo[k]fluoranthene is used as an optical sensor for nitro-aromatic compounds due to fluorescence quenching of the molecule. It is also a carcinogen and mutagen.

Technology Process of Benzo[k]fluoranthene

There total 56 articles about Benzo[k]fluoranthene 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: 88.0%

C20H14O → Benzo[k]fluoranthene (207-08-9)

Guidance literature:

With zinc(II) chloride; In acetic anhydride; at 130 ℃; for 0.5h;

DOI:10.1002/ejoc.200600698

Reference yield: 64.0%

2-hydroxy-3-(1-naphthyl)naphthalene triflate (146746-48-7) → Benzo[k]fluoranthene (207-08-9)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium chloride; bis(triphenylphosphine)palladium(II)-chloride; In N,N-dimethyl-formamide; at 120 ℃; for 3h;

DOI:10.1021/jo00058a023

Reference yield: 61.0%

7-(methylthio)benzo[k]fluoranthene → Benzo[k]fluoranthene (207-08-9)

Guidance literature:

Raney Ni (W₂); In ethanol; for 6h; Heating;

DOI:10.1002/ejoc.200400735

upstream raw materials:

8,9,10,11-tetrahydrobenzofluoranthene

acenaphthenequinone monoxime

o-xylylene(bistriphenylphospine) dibromide

2-hydroxy-3-(1-naphthyl)naphthalene triflate

Downstream raw materials:

carbon dioxide

Benzo[j]fluoranthene

Benzacephenanthrylene

Refernces

• 1、 Tan, Eric,Konovalov, Andrey I.,Fernández, Gabriela A.,Dorel, Ruth,Echavarren, Antonio M.. "Ruthenium-Catalyzed Peri- and Ortho-Alkynylation with Bromoalkynes via Insertion and Elimination". . p. 5561 - 5564. Retrieved 2017.
• 2、 Yamaguchi, Miyuki,Higuchi, Mayu,Tazawa, Kanae,Manabe, Kei. "Three-Step Synthesis of Fluoranthenes through Pd-Catalyzed Inter- and Intramolecular C-H Arylation". . p. 3967 - 3974. Retrieved 2016/05/24.
• 3、 Okazaki, Takao,Adachi, Taisuke,Kitagawa, Toshikazu. "NMR and DFT study on onium ions derived from substituted fluoranthenes and benzo[κ]fluoranthenes". . p. 464 - 471. Retrieved 2013/05/22.