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12126-50-0 Usage

Chemical Properties

crystalline solid


Different sources of media describe the Uses of 12126-50-0 differently. You can refer to the following data:
1. Decamethylferrocene is used as a superior internal reference redox standard to ferrocene in voltammetric and amperometric titrations. It is used as photocathode for the detection of barium fluoride scintillation light.
2. Bis(pentamethylcyclopentadienyl)iron(II)(Me10FeCp2, DecMFc) was used as an electron donor to functionalize high purity graphene with metallic palladium via a redox reaction.

Check Digit Verification of cas no

The CAS Registry Mumber 12126-50-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,2,1,2 and 6 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 12126-50:
60 % 10 = 0
So 12126-50-0 is a valid CAS Registry Number.

12126-50-0 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
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  • Detail
  • Alfa Aesar

  • (39406)  Decamethylferrocene, 99%   

  • 12126-50-0

  • 250mg

  • 554.0CNY

  • Detail
  • Alfa Aesar

  • (39406)  Decamethylferrocene, 99%   

  • 12126-50-0

  • 1g

  • 1520.0CNY

  • Detail
  • Alfa Aesar

  • (39406)  Decamethylferrocene, 99%   

  • 12126-50-0

  • 5g

  • 4093.0CNY

  • Detail



According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017


1.1 GHS Product identifier

Product name Bis(pentamethylcyclopentadienyl)iron

1.2 Other means of identification

Product number -
Other names Bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)iron

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:12126-50-0 SDS

12126-50-0Relevant articles and documents

Zinc-Containing Radical Anions via Single Electron Transfer to Donor–Acceptor Adducts

Cao, Levy L.,Bamford, Karlee L.,Liu, Liu Leo,Stephan, Douglas W.

, p. 3980 - 3983 (2018)

Reactions of [Cp*2Fe] with the Lewis acid [Zn(C6F5)2] in the presence of [(PhC(S)S)2], 9,10-phenanthrenedione or 4,5-pyrenedione yield the salt [Cp*2Fe][(PhC(S)S)Zn(C6F5/su

Self-exchange reaction kinetics of metallocenes revisited: Insights from the decamethylferricenium-decamethylferrocene reaction at variable pressure

Zahl, Achim,Van Eldik, Rudi,Matsumoto, Mitsuru,Swaddle, Thomas W.

, p. 3718 - 3722 (2003)

Rate constants kex and volumes of activation ΔVex? have been obtained using 1H NMR for the self-exchange reaction of the [(η5-C5(CH3)5)2 Fe]+ hexafluorophosphate and tetrafluoroborate with [(η5-C5(CH3)5)2Fe] in acetone-d6 (ΔVex? = -8.6 ± 0.3 cm3 mol-1), dichloromethane-d2, and (semiquantitatively) in acetonitrile-d3. Under the experimental conditions, ion pairing was significant only in CD2Cl2, but even that produced only a minor reduction in kex and so had a negligible effect on ΔVex? (= -6.4 ± 0.2 cm3 mol-1 with PF6-). In all cases, ΔVex? is negative and consistent with a simple two-sphere activation model, rather than with that of Weaver et al. (Nielson, R. M.; McManis, G. E.; Safford, L. K.; Weaver, M. J. J. Phys. Chem. 1989, 93, 2152) in which the barrier crossing rate is limited by solvent dynamics. Similarly, the ~5-fold increase in kex on going from [(η5-C5H5)2Fe]+/0 to [(η5-C5(CH3)5)2 Fe]+/0 in acetone can be explained with the two-sphere model on the basis of the effects of reactant size on the solvent reorganization energy, without reference to solvent dynamics.

Catalytic photodefluorination of perfluoroalkanes to perfluoroalkenes with a ferrocene photosensitizer

Burdeniuc, Juan,Crabtree, Robert H.

, p. 1582 - 1586 (1998)

Perfluoroalkenes are obtained from perfluoroalkanes by photoinduced electron transfer from an organometallic photosensitizer, decamethylferrocene, in the polar solvent thf. In the presence of Zn, the reaction becomes catalytic in ferrocene because the dec

Kreindlin, A. Z.,Fadeeva, S. S.,Rybinskaya, M. I.

, (1984)

Influence of the redox active ligand on the reactivity and electronic structure of a series of Fe(TIM) complexes

Hess, Corinna R.,Weyhermueller, Thomas,Bill, Eckhard,Wieghardt, Karl

, p. 5686 - 5700 (2010)

The redox properties of Fe and Zn complexes coordinated by an α-diimine based N4-macrocyclic ligand (TIM) have been examined using spectroscopic methods and density functional theory (DFT) computational analysis. DFT results on the redox series of [Zn(TIM*)]n and [Fe(TIM*)]n molecules indicate the preferential reduction of the α-diimine ligand moiety. In addition to the previously reported [Fe(TIM*)]2 dimer, we have now synthesized and characterized a further series of monomeric and dimeric complexes coordinated by the TIM ligand. This includes the five-coordinate monomeric [Fe(TIM*)I], the neutral and cationic forms of a monomeric phosphite adduct, [Fe(TIM*)(P(OPh) 3)] and [Fe(TIM*)(P(OPh)3)](PF6), as well as a binuclear hydroxy-bridged complex, [{Fe(TIM*)}2(μ-OH)] (PF6). Experimental and computational data for these synthetic compounds denote the presence of ferrous and ferric species, suggesting that the α-diimine based macrocycles do not readily support the formation of formally low-valent (M0 or MI) metal complexes as previously speculated. Magnetochemical, Moessbauer, electron paramagnetic resonance (EPR), and electronic spectral data have been employed to experimentally determine the oxidation state of the central metal ion and of the macrocyclic ligand (TIM*) in each compound. The series of compounds is described as follows: [FeII(TIM0)(CH3CN 2)]2+, SFe = ST = 0; [Fe 2.5(TIM2.5-)]2, ST = 1; [{Fe III(TIM2-)}2(μ-OH)]+, S Fe = 3/2, ST = 0; [FeIII(TIM2-)I], SFe = 3/2, ST = 1/2; [FeII(TIM 2-)(P(OPh3))], SFe = ST = 0; and [FeII(TIM1-)(P(OPh3))]1+/[Fe I(TIM0)(P(OPh3))]1+, ST = 1/2. The results have been corroborated by DFT calculations.


Fedin, E. I,Blumenfeld, A. L.,Petrovskii, P. V.,Kreindlin, A. Z,Fadeeva, S. S.,Rybinskaya, M. I.

, p. 257 - 268 (1985)

Conversion of the diamagnetic salt of nonamethylferrocenylcarbenium primary cation into the paramagnetic salt of bis(nonamethylferroceniumyl)ethane has been studied by high-resolution NMR in solution and, mainly, by spin-lattice and spi-spin relaxation in

Cationic Copper Hydride Clusters Arising from Oxidation of (Ph3P)6Cu6H6

Liu, Shuo,Eberhart, Michael S.,Norton, Jack R.,Yin, Xiaodong,Neary, Michelle C.,Paley, Daniel W.

, p. 7685 - 7688 (2017)

Transfer of the first electron from (Ph3P)6Cu6H6 to Cp?2Fe+ is fast (k > 106 L·mol-1·s-1). Transfer of a second electron to the same oxidant has a much lower thermodynamic driving force and is considerably slower, with k = 9.29(4) × 103 L·mol-1·s-1. The second oxidation leads to the formation of [(Ph3P)6Cu6H5]+. The structure of [(Ph3P)6Cu6H5]+ has been confirmed by its conversion back to (Ph3P)6Cu6H6 and by microanalysis; X-ray diffraction shows that the complex is a bitetrahedron in the solid state. [(Ph3P)6Cu6H5]+ can also be prepared by treating (Ph3P)6Cu6H6 with MeOTf. With less than 1 equiv of Cp?2Fe+ as oxidant, (Ph3P)6Cu6H6 gives [(Ph3P)7Cu7H6]+ as the major product; X-ray diffraction shows a Cu6 octahedron with one face capped by an additional Cu. [(Ph3P)7Cu7H6]+ can also be prepared by treating (Ph3P)6Cu6H6 with [Cu(CH3CN)4]+ (along with 1 equiv of Ph3P), and can be converted back to (Ph3P)6Cu6H6 with base/H2.

Reaction of the Transition Metal Hydrides [Cp*MH2] 2 (Cp* = η5-C5Me5; M = Fe, Ru) with BH3-THF to Yield Metallaboranes. Improved Kinetic Control Leads to Novel Ferraboranes

Peldo, Melanie A.,Beatty, Alicia M.,Fehlner, Thomas P.

, p. 3698 - 3702 (2003)

The reactions of [Cp*MH2]2, Cp* = η5-C5Me5; M = Fe, Ru, with BH 3·THF have been explored. As with [Cp*RuCl 2]2, [Cp*RuH2]2 readily reacts with borane to generate nido-1,2-(Cp*RuH)2B 3H7. In contrast to the chloride, intermediates are detectible in the hydride reaction and product selectivity is higher. Benefits of the apparently lower reaction barrier appear in the reaction of [Cp*FeH2]2 with BH3·THF. The formation and isolation of the novel hydrogen-rich ferraborane arachno-1-Cp*FeB4H11 from the iron hydride contrasts with the production of pentamethylferrocene from a pentamethylcyclopentadienyl iron halide. This metastable ferraborane has been characterized spectroscopically as well as by reaction with Co 2(CO)8 to give a good yield of the more stable derivative nido-1-(Cp*Fe)-2-{Co(CO)3}B4H8 by metal fragment addition. The latter compound has been spectroscopically characterized in solution as well as in the solid state by a single-crystal X-ray diffraction study as an example of a mixed metal dimetallahexaborane.

Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes

Kotani, Hiroaki,Shimomura, Hinatsu,Horimoto, Momoka,Ishizuka, Tomoya,Shiota, Yoshihito,Yoshizawa, Kazunari,Yanagisawa, Sachiko,Kawahara-Nakagawa, Yuka,Kubo, Minoru,Kojima, Takahiko

, p. 13154 - 13161 (2019)

Isolation and characterisation of RuIV(O) complexes were accomplished to investigate their fundamental electron transfer (ET) and proton-coupled ET (PCET) properties. Reorganisation energies (λ) in electron transfer (ET) and proton-coupled ET (PCET) from electron donors to the isolated RuIV(O) complexes have been determined for the first time to be in the range of 1.70-1.88 eV (ET) and 1.20-1.26 eV (PCET). It was suggested that the reduction of the λ values of PCET in comparison with those of ET should be due to the smaller structural change in PCET than that in ET on the basis of DFT calculations on 1 and 1e--reduced 1 in the absence and presence of TFA, respectively. In addition, the smaller λ values for the RuIV(O) complexes than those reported for FeIV(O) and MnIV(O) complexes should be due to the lack of participation of dσ orbitals in the ET and PCET reactions. This is the first example to evaluate fundamental ET and PCET properties of RuIV(O) complexes leading to further understanding of their reactivity in oxidation reactions.

The special role of B(C6F5)3 in the single electron reduction of quinones by radicals

Tao, Xin,Daniliuc, Constantin G.,Knitsch, Robert,Hansen, Michael Ryan,Eckert, Hellmut,Lübbesmeyer, Maximilian,Studer, Armido,Kehr, Gerald,Erker, Gerhard

, p. 8011 - 8018 (2018/11/03)

In the presence of two molar equiv. of B(C6F5)3p-benzoquinone reacts with persistent radicals TEMPO, trityl or decamethylferrocene by single electron transfer to give doubly O-borylated benzosemiquinone radical anions with

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