Iron(II) Tetrafluoroborate Hexahydrate

• CAS: 13877-16-2
• Catalog Number: ACM13877162-2
• Category: Main Products
• Molecular Weight: 337.55
• Molecular Formula: B2F8FeH12O6
• Synonyms: Iron bis(tetrafluoroborate) hexahydrate
• IUPAC Name: Iron(2+);ditetrafluoroborate;hexahydrate
• Canonical SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.O.O.O.O.O.O.[Fe+2]
• InChI: InChI=1S/2BF4.Fe.6H₂O/c2*2-1(3,4)5;/h;6*1H2/q2*-1;+2
• InChI Key: NKQGOEGCKHXNEP-UHFFFAOYSA-N
• Solubility: Soluble in water
• Appearance: Crystalline
• Complexity: 19.1
• Covalently-Bonded Unit Count: 9
• Exact Mass: 338.004159
• Formal Charge: 0
• H-Bond Acceptor: 16
• H-Bond Donor: 6
• Heavy Atom Count: 17
• Monoisotopic Mass: 338.004159
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 6 Ų

Case Study

Iron(II) Tetrafluoroborate Hexahydrate for Self-Assembly of Heterobimetallic Systems

Hardy, Matthias, et al. Angewandte Chemie International Edition, 2020, 59(8), 3195-3200.

Ditopic building block 1 was chosen to facilitate the creation of C3-symmetric iron(II) tris(pyridylimine) structures, along with C2- and C4-symmetric palladium(II) pyridine compounds. The reaction involving three equivalents of aldehyde 1, one equivalent of TREN 2, and one equivalent of iron(II) tetrafluoroborate hexahydrate in acetonitrile produced the mononuclear complex ML-1(BF4)2, which appeared as a bright red solid. This complex was characterized using techniques such as 1H NMR and UV/Vis spectroscopy, ESI-MS spectrometry, vibrating sample magnetometry, and single-crystal X-ray diffraction.
When one equivalent of ML-1(BF4)2 was mixed with 1.5 equivalents of 1,3-bis(diphenylphosphino)propane palladium(II) triflate ([(dppp)Pd(OTf)2]) or 0.75 equivalents of tetrakis(acetonitrile) palladium(II) tetrafluoroborate ([Pd(CH3CN)4](BF4)2) in acetonitrile, it resulted in the formation of heterometallic pentanuclear bipyramidal complex BP-1(OTf)6(BF4)4 or the tetradecanuclear cubic complex CU-1(BF4)28, both produced as bright red microcrystalline solids with high yields.

Iron(II) Tetrafluoroborate Hexahydrate for the Preparation of Metal Supramolecular Electrochromic Materials

Shao, Xiongchao, et al. Synthetic Metals, 2021, 282, 116953.

This work developed an organic soluble linear metallo-supramolecular polymer P-FeTPY with high electrochromic properties based on iron (II) and terpyridine ligands. Studies have shown that P-FeTPY can be dissolved in low-boiling point, volatile solvents, and can form a good film after processing, with excellent electrochromic and electrochemical properties.
Synthesis of P-FeTPY film
· 128 mg of ligand (3) (4',4'''-(2',5'-bis((2-octyldodecyl)oxy))-[1,1':4',1''-terphenyl]-4,4-''-di-2,2':6',2''-terpyridine, 0.1 mmol) was dropped into a 50 mL flask and degassed with N2 for 3 minutes; 20 mL DCM was used to dissolve the powder.
· Then 33.7 mg of iron(II) tetrafluoroborate hexahydrate, dissolved in 2 mL of methyl alcohol, was added dropwise. It agitated the reaction overnight. When cooled to RT, the crude product was recrystallised in 200 mL petroleum ether and the dark powder filtered out and rinsed with petroleum ether to remove any residual ligands and with water to remove the iron(II) tetrafluoroborate hexahydrate.
· The polymer P-FeTPY film was spun-coated on ITO, which had been ozone-treated for 20 min, with its DCM solution. Polymer P-FeTPY had a concentration of 10 mg·mL-1, and the spin-coating speed was 1000 rpm·s-1.

Custom Q&A

What is the molecular formula of Iron(II) Tetrafluoroborate Hexahydrate?

The molecular formula of Iron(II) Tetrafluoroborate Hexahydrate is B2F8FeH12O6.

What is the synonym for Iron(II) Tetrafluoroborate Hexahydrate?

The synonym for Iron(II) Tetrafluoroborate Hexahydrate is iron(2+);ditetrafluoroborate;hexahydrate.

What is the CAS number for Iron(II) Tetrafluoroborate Hexahydrate?

The CAS number for Iron(II) Tetrafluoroborate Hexahydrate is 13877-16-2.

What is the molecular weight of Iron(II) Tetrafluoroborate Hexahydrate?

The molecular weight of Iron(II) Tetrafluoroborate Hexahydrate is 337.55 g/mol.

How many Hydrogen Bond Donor Count does Iron(II) Tetrafluoroborate Hexahydrate have?

Iron(II) Tetrafluoroborate Hexahydrate has 6 Hydrogen Bond Donor Count.

How many Hydrogen Bond Acceptor Count does Iron(II) Tetrafluoroborate Hexahydrate have?

Iron(II) Tetrafluoroborate Hexahydrate has 16 Hydrogen Bond Acceptor Count.

What is the InChIKey of Iron(II) Tetrafluoroborate Hexahydrate?

The InChIKey of Iron(II) Tetrafluoroborate Hexahydrate is NKQGOEGCKHXNEP-UHFFFAOYSA-N.

What is the Canonical SMILES of Iron(II) Tetrafluoroborate Hexahydrate?

The Canonical SMILES of Iron(II) Tetrafluoroborate Hexahydrate is [B-](F)(F)(F)F.[B-](F)(F)(F)F.O.O.O.O.O.O.[Fe+2].

What is the European Community (EC) Number for Iron(II) Tetrafluoroborate Hexahydrate?

The European Community (EC) Number for Iron(II) Tetrafluoroborate Hexahydrate is 629-434-4.

How many Covalently-Bonded Unit Count does Iron(II) Tetrafluoroborate Hexahydrate have?

Iron(II) Tetrafluoroborate Hexahydrate has 9 Covalently-Bonded Unit Count.