Octafluoronaphthalene

Base Information

• Chemical Name: Octafluoronaphthalene
• CAS No.: 313-72-4
• Molecular Formula: C10F8
• Molecular Weight: 272.097
• Hs Code.: 29039990
• European Community (EC) Number: 206-239-9
• DSSTox Substance ID: DTXSID60185221
• Nikkaji Number: J95.346F
• Wikidata: Q56702336
• Mol file: 313-72-4.mol

Synonyms:1,2,3,4,5,6,7,8-fluoronaphthalene;octafluoronaphthalene

Chemical Property of Octafluoronaphthalene

Chemical Property:

• Appearance/Colour: White crystal or needle
• Vapor Pressure: 0.0687mmHg at 25°C
• Melting Point: 85-90 °C
• Refractive Index: 1.367
• Boiling Point: 237.5 °C at 760 mmHg
• Flash Point: 74.3 °C
• PSA: 0.00000
• Density: 1.73 g/cm³
• LogP: 3.95260
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water. Solubility in toluene, almost transparent.
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 271.98722530
• Heavy Atom Count: 18
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Octafluoronaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N,Xn,F
• Hazard Codes: Xi,N,Xn,F
• Statements: 36/37/38-67-65-62-51/53-48/20-11
• Safety Statements: 26-36-62-61-36/37-33-29-16-9

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Polyaromatics
• Canonical SMILES: C12=C(C(=C(C(=C1F)F)F)F)C(=C(C(=C2F)F)F)F
• Uses: It is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of Octafluoronaphthalene

There total 17 articles about Octafluoronaphthalene 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: 94.0%

octadecafluorodecahydronaphthalene (cis+trans) (306-94-5) + C24H23N3NiO2 → octafluoronaphthalene (313-72-4) + C24H22FN3NiO2

Guidance literature:

In tetrahydrofuran-d8; at 20 ℃; for 72h;

DOI:10.1039/c5cc08950f

Reference yield: 85.0%

octachloronaphthalene (2234-13-1) → octafluoronaphthalene (313-72-4)

Guidance literature:

With sulfolane; potassium fluoride; at 130 - 250 ℃; for 5h;

Reference yield: 62.0%

octadecafluorodecahydronaphthalene (cis+trans) (306-94-5) → octafluoronaphthalene (313-72-4)

Guidance literature:

With benzophenone; sodium; In tetrahydrofuran; for 1.5h; -70 deg C to rt;

DOI:10.1021/jo00036a019

upstream raw materials:

octadecafluorodecahydronaphthalene (cis+trans)

Dichlorofluoromethane

1,1-dichloroperfluoroindan

octafluoroindene

Downstream raw materials:

(1,3,4,5,6,7,8-Heptafluoro-naphthalen-2-yl)-pentafluorophenyl-amine

1,2,3,4,5,6,7-Heptafluoro-8-(2,3,4,6-tetrafluoro-phenyl)-naphthalene

1,5-bis(3-H-tetrafluorophenyl)hexafluoronaphthalene

hexafluoro-1,4-naphthoquinone

Refernces

• 1、 Han, Yi,Jiao, Tianyu,Li, Zhengtao,Ni, Yong,Wu, Jishan,Wu, Shaofei,Zhang, Qiuyu,Zhu, Jun. "Facile Synthesis of a Fully Fused, Three-Dimensional ?-Conjugated Archimedean Cage with Magnetically Shielded Cavity". supporting information. p. 14314 - 14321. Retrieved 2021/09/13.
• 2、 Wenz, Jan,Rettenmeier, Christoph A.,Wadepohl, Hubert,Gade, Lutz H.. "Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(i) complexes via a radical mechanism". supporting information. p. 202 - 205. Retrieved 2015/12/26.