FERROCENIUM TETRAFLUOROBORATE

Base Information

• Chemical Name: FERROCENIUM TETRAFLUOROBORATE
• CAS No.: 1282-37-7
• Molecular Formula: C10H10BF4Fe10*
• Molecular Weight: 272.841
• European Community (EC) Number: 627-836-4
• Mol file: 1282-37-7.mol

Synonyms:FERROCENIUM TETRAFLUOROBORATE;FERROCENIUM TETRAFLUOROBORATE, TECH.

Chemical Property of FERROCENIUM TETRAFLUOROBORATE

Chemical Property:

• Appearance/Colour: solid
• Melting Point: 178 °C (dec.)(lit.)
• Boiling Point: Vapour density:
• PSA: 0.00000
• LogP: 2.35650
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 273.016104
• Heavy Atom Count: 16
• Complexity: 72.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ferrocenium tetrafluoroborate technical grade ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B-](F)(F)(F)F.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+3]
• Uses: Ferrocenium Tetrafluoroborate can be used for diagnostic and radiotherapeutic composition.

Technology Process of FERROCENIUM TETRAFLUOROBORATE

There total 8 articles about FERROCENIUM TETRAFLUOROBORATE 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: 95.0%

tetrafluoroboric acid diethyl ether (67969-82-8) + ferrocene (102-54-5,55404-68-7) → ferrocenium(III) tetrafluoroborate (1282-37-7)

Guidance literature:

In nitromethane; dichloromethane; addn. of nitromethane to Fe complex soln. (CH2Cl2) under Ar; addn. of HBF4*Et2O in two portions; stirring, 1h; evapn.; extn. (pentane); stirring with ether; dissoln. in heated CH3CN; filtration through Na2SO4 (free from water) in ether; pptn.; drying (high vac.); elem. anal.;

DOI:10.1016/0022-328X(86)80153-X

Reference yield: 87.0%

silver tetrafluoroborate (14104-20-2) + ferrocene (102-54-5,55404-68-7) → ferrocenium(III) tetrafluoroborate (1282-37-7)

Guidance literature:

In tetrahydrofuran; byproducts: Ag; (Ar or N2), ferrocene in THF treated with 0.8 equiv. of AgBF4 in THF at -78°C; filtered, evapd.(vac.), extd.(CH2Cl2), crystd. at room temp.;

DOI:10.1016/j.ica.2007.03.049

Reference yield: 78.0%

tetrafluoroboric acid + ferrocene (102-54-5,55404-68-7) → ferrocenium(III) tetrafluoroborate (1282-37-7)

Guidance literature:

In diethyl ether; nitromethane; dichloromethane; 12 h;; removing solvent; extn. with petroleum ether 4 times (40-60°C); stirring with ether; filtn.; drying; elem.anal.;;

DOI:10.1016/0022-328X(85)87304-6

upstream raw materials:

ferrocene

boron trifluoride

tetrabutylammonium tetrafluoroborate

sodium tetrafluoroborate

Downstream raw materials:

ferrocene

Cp(molybdenum)dinitrosyl(methyl)

(Cp)iron(carbonyl){η1-(Z)-OC(methyl)C(S(phenyl))CH(methyl)2}

(Cp)iron{P(O(phenyl))3}{η1-(Z)COC(methyl)C(S(phenyl))CH(methyl)2}

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