Pentafluoro(trichloromethyl)benzene

Base Information

• Chemical Name: Pentafluoro(trichloromethyl)benzene
• CAS No.: 778-34-7
• Molecular Formula: C7Cl3 F5
• Molecular Weight: 285.428
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID00382176
• Nikkaji Number: J2.839.658I
• Wikidata: Q82173496
• Mol file: 778-34-7.mol

Synonyms:778-34-7;PENTAFLUORO(TRICHLOROMETHYL)BENZENE;1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene;(Trichloromethyl)pentafluorobenzene;pentafluorobenzotrichloride;Benzene,1,2,3,4,5-pentafluoro-6-(trichloromethyl)-;SCHEMBL1580104;DTXSID00382176;MFCD01013630;AKOS015853276;PS-10629;FT-0632945;A839211;1,2,3,4,5-pentakis(fluoranyl)-6-(trichloromethyl)benzene

Chemical Property of Pentafluoro(trichloromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.238mmHg at 25°C
• Boiling Point: 114-115/48mm
• Flash Point: 95.7°C
• Density: 1.764g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 283.898574
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

(Trichloromethyl)pentafluorobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(Cl)(Cl)Cl

Technology Process of Pentafluoro(trichloromethyl)benzene

There total 5 articles about Pentafluoro(trichloromethyl)benzene 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: 77.0%

tetrachloromethane (56-23-5) + Pentafluorobenzene (363-72-4) → 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene (778-34-7)

Guidance literature:

With sodium t-butanolate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1039/c7ob03081a

Reference yield: 59.0%

perfluorotoluene (434-64-0) → 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene (778-34-7)

Guidance literature:

With aluminium trichloride; at 45 ℃; for 4h; Product distribution; also in var. solvents; other time and temp.; other polyfluoromethanes and polyfluorobenzotrichlorides; other reactants;

Reference yield:

2,3,4,5,6-pentafluorotoluene (771-56-2) → 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene (778-34-7)

Guidance literature:

With chlorine; Irradiation;

DOI:10.1039/jr9610000808

upstream raw materials:

tetrachloromethane

Pentafluorobenzene

perfluorotoluene

2,3,4,5,6-pentafluorotoluene

Downstream raw materials:

N-Pentafluorophenyl(C-pentafluorophenyl)imidoyl chloride

2,3,4,5,6-pentafluorotoluene

2,2',3,3',4,4',5,5',6,6'-decafluorodibenzyl

pentafluorobenzylidene chloride

Refernces

• 1、 Dvornikova, K. V.,Platonov, V. E.,Yakobson, G. G.. "PREPARATION OF POLYFLUOROBENZOTRIHALIDES BY THE REACTIONS OF OCTAFLUOROTOLUENE AND ITS DERIVATIVES WITH ALUMINUM HALIDES. SYNTHESIS OF POLYFLUOROSTILBENES AND DECAFLUOROTOLAN". . p. 525 - 532. Retrieved 2007/10/02.