Ferrocenium

Base Information

• Chemical Name: Ferrocenium
• CAS No.: 12125-80-3
• Molecular Formula: C10H10 Fe
• Molecular Weight: 186.036
• Wikidata: Q10281684
• Mol file: 12125-80-3.mol

Synonyms:FcBF(4);ferricenium hexafluorophosphate;ferrocenium;ferrocenium hexafluorophosphate;ferrocenium tetrafluoroborate;ferrocenium, (T-4)-tetrachloroferrate(1-);ferrocenium, 2,4,6-trinitrophenol (1:1) salt;ferrocenium, hexachloro-mu-oxodiferrate(2-) (2:1);ferrocenium, hexafluorophosphate(1-);ferrocenium, tetrafluoroborate(1-);ferrocenium, trichloroacetic acid (1:1) salt;ferrocenium, trichloroacetic acid (1:2) salt;ferrocenium, trichloroacetic acid, hydrogen (1:1:2) salt;ferrocenium, trichloroacetic acid, hydrogen (1:2:3) salt

Chemical Property of Ferrocenium

Chemical Property:

• Vapor Pressure: 418mmHg at 25°C
• Boiling Point: 41.5°C at 760 mmHg
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 186.013186
• Heavy Atom Count: 11
• Complexity: 11.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+3]

Technology Process of Ferrocenium

There total 20 articles about Ferrocenium 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:

(ironcyclopentadienylcarbonyl)2(μ-CO)(μ-ethenylidene)H(1+) → ferrocenium (12125-80-3) + (ironcyclopentadienyl)2C2H(1+) + hydrogen (1333-74-0) + iron (7439-89-6) + acetylene (74-86-2,25067-58-7)

Guidance literature:

With argon; byproducts: C10H9(1+), C10H8(1+); Ar as collision gas, pressure of 1E-5 Torr;

DOI:10.1021/ja00187a015

Reference yield:

(cyclopentadienylcarbonyliron)2(μ-CO)(μ-ethenylidene)(1+) → ferrocenium (12125-80-3) + Fe(C5H4CH2CH2C5H4)(1+) + (cyclopentadienyl)2diiron(1+) + iron (7439-89-6) + acetylene (74-86-2,25067-58-7)

Guidance literature:

With argon; Ar as collision gas, p=1E-5 Torr;

DOI:10.1021/ja00187a015

Reference yield:

ferrocene (102-54-5,55404-68-7) + oxygen (80937-33-3) + hydrogen cation → ferrocenium (12125-80-3) + dihydrogen peroxide (7722-84-1)

Guidance literature:

With PPN tetrakis(pentafluorophenyl)borate; cobalt(II) porphyrin; In water; 1,2-dichloro-ethane; 23°C;

DOI:10.1021/ja904569p

upstream raw materials:

ferrocene

cumyl peroxy radical

iodine

iron

Downstream raw materials:

ferrocene

iron(III)

L-dehydroascorbic acid

1-benzyl-3-carbamoylpyridinium ion

Refernces

• 1、 Halstead, Joshua M.,Abu-Saleh, Refaat,Schildcrout, Steven M.,Masnovi, John. "Oxidation kinetics of ferrocene derivatives with dibenzoyl peroxide". . p. 39 - 46. Retrieved 2019.
• 2、 Das, Dipanwita,Lee, Yong-Min,Ohkubo, Kei,Nam, Wonwoo,Karlin, Kenneth D.,Fukuzumi, Shunichi. "Temperature-independent catalytic two-electron reduction of dioxygen by ferrocenes with a copper(II) tris[2-(2-pyridyl)ethyl]amine catalyst in the presence of perchloric acid". . p. 2825 - 2834. Retrieved 2013.
• 3、 Trojanek, Antonin,Langmaier, Jan,Ebera, Jakub,Zali, Stanislav,Barbe, Jean-Michel,Girault, Hubert H.,Samec, Zdenk. "Fine tuning of the catalytic effect of a metal-free porphyrin on the homogeneous oxygen reduction". . p. 5446 - 5448. Retrieved 2011.