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126642-97-5

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126642-97-5 Usage

Uses

RAC-DIMETHYLSILYLENEBIS(4,5,6,7-TETRAHYDRO-1-INDENYL)ZIRCONIUM(IV) DICHLORIDE is an organometallic compound and can be used as a catalyst.

Precautions

1. Avoid eye and skin contact and avoid breathing vapor.2. Keep away from fire and heat sources. Avoid contact with incompatible substances such as oxidants.

Check Digit Verification of cas no

The CAS Registry Mumber 126642-97-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,6,6,4 and 2 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 126642-97:
(8*1)+(7*2)+(6*6)+(5*6)+(4*4)+(3*2)+(2*9)+(1*7)=135
135 % 10 = 5
So 126642-97-5 is a valid CAS Registry Number.

126642-97-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name RAC-DIMETHYLSILYLENEBIS(4,5,6,7-TETRAHYDRO-1-INDENYL)ZIRCONIUM(IV) DICHLORIDE

1.2 Other means of identification

Product number -
Other names dimethylsilanediylbis(tetrahydroindenyl)zirconium dichloride

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:126642-97-5 SDS

126642-97-5Upstream product

126642-97-5Downstream Products

126642-97-5Relevant articles and documents

Intramolecular mobility of η5-ligands in chiral zirconocene complexes and the enantioselectivity of alkene functionalization by organoaluminum compounds

Parfenova, Lyudmila V.,Zakirova, Irina V.,Kovyazin, Pavel V.,Karchevsky, Stanislav G.,Istomina, Galina P.,Khalilov, Leonard M.,Dzhemilev, Usein M.

, p. 12814 - 12826 (2016/08/24)

The effect of solvent nature (CD2Cl2, d8-toluene, d8-THF) on the conformational behavior of neomenthyl-substituted zirconocenes CpInd?ZrCl2 (Cp = η5-C5H5, Ind? = η5-neomenthylindenyl), CpCp′ZrCl2 (Cp = η5-C5H5, Cp′ = η5-neomenthyl-4,5,6,7-tetrahydroindenyl), and Ind?2ZrCl2 (Ind? = η5-neomenthylindenyl) was shown by means of dynamic NMR spectroscopy, and the constants and thermodynamic parameters of conformer exchange were determined. The experimental conformational composition of the complexes was compared with structures obtained by quantum chemical modeling using the DFT methods PBE/3ζ and M06-2X/cc-pVDZ(H, C, Cl)/cc-pVDZ-PP(Zr), which predicted three rotamers in the case of both CpInd?ZrCl2 and CpCp′ZrCl2, and seven rotational isomers for Ind?2ZrCl2, three of these being C2-symmetric and the others being asymmetric. The enantioselectivity of the conformationally mobile complex Ind?2ZrCl2 in the reactions of terminal alkenes with AlR3 (R = Me, Et) was compared with that of rigid ansa-complexes, rac-p-S, p-S-[Y(η5-C9H10)2]ZrX2 (Y = SiMe2, C2H4; X = S-binaphtholate). Faster exchange between the conformers of Ind?2ZrCl2 in a chlorinated solvent gives the structural isomer of catalytically active sites, which affords higher substrate conversion and reaction enantioselectivity. Binding of the ligands to ansa-zirconocenes prevents the rotational isomerism of the complexes, providing the same configuration of the β-stereogenic center in the methyl- and ethylalumination products (unlike the conformationally mobile complex Ind?2ZrCl2) with an enantiomeric purity of 50-65%.

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