12148-49-1

Basic information

• Product Name: DICHLOROBIS(INDENYL)ZIRCONIUM(IV)
• Synonyms: dichlorobis[(1,2,3,3a,7a-.eta.)-1h-inden-1-yl]-zirconiu;DICHLOROBIS(INDENYL)ZIRCONIUM(IV);BIS(INDENYL)ZIRCONIUM DICHLORIDE;BIS(INDENYL)ZIRCONIUM(IV) DICHLORIDE;Bis(indenyl)zirkoniumdichlorid;Bis(indenyl)zirconiumdichloride,min.98%;BIS(INDENYL)ZIRCONIUM DICHLORIDE, MIN.;Dichlorobis(indenyl)zirconium(IV),96%
• CAS NO: 12148-49-1
• Molecular Formula: C₁₈H₁₄Cl₂Zr
• Molecular Weight: 392.43
• Product Categories: arene-metal complexes
• Mol File: 12148-49-1.mol
• Article Data: 9

Chemical Properties

• Melting Point: 239-243 °C(lit.)
• Appearance: yellow/Powder
• Sensitive: moisture sensitive
• CAS DataBase Reference: DICHLOROBIS(INDENYL)ZIRCONIUM(IV)(CAS DataBase Reference)
• NIST Chemistry Reference: DICHLOROBIS(INDENYL)ZIRCONIUM(IV)(12148-49-1)
• EPA Substance Registry System: DICHLOROBIS(INDENYL)ZIRCONIUM(IV)(12148-49-1)

Safety Data

• Hazard Codes: C
• Statements: 15-34
• Safety Statements: 26-27-36/37/39-45
• RIDADR: UN 3261 8/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 12148-49-1(Hazardous Substances Data)

Usage

Chemical Properties

yellow to brown powder

Upstream product

• 917-54-4 methyllithium 
• 10026-11-6 zirconium(IV) chloride 
• 95-13-6 1-indene 
• 10545-99-0 sulfur dichloride 
• 121009-93-6 rac-dimethylsilylenebis(indenyl)zirconium dichloride 
• 173772-80-0 bis(indenyl)zirconium(IV) methyl chloride 
• 10294-34-5 boron trichloride 
• 7705-08-0 iron(III) chloride 
• 7647-01-0 hydrogenchloride 
• 23181-84-2 sodium indenyl 
• 82163-52-8 indenyl thallium(I) 
• 76-83-5 trityl chloride 
• 7758-95-4 lead(II) chloride 
• 554-68-7 triethylamine hydrochloride 

Downstream Products

• 91947-82-9 (C₉H₇)2Zr(OC₆H₅)Cl 
• 91947-86-3 bis[indenyl]zirconium diphenoxide 
• 478832-91-6 bis(η5-indenyl)-1-zircona-2-benzylidenecyclobutane 
• 64465-03-8 1,2,3,4-tetraphenylfluorene 
• 78237-39-5 1,2,3,4-tetra-p-tolylfluorene 
• 90752-52-6 ((C₉H₇)2Zr(CH₃COCHCOCH₃))⁽¹⁺⁾*(CH₃C₆H₄)(C₂H₅)NCS₂^(1-)=((C₉H₇)2Zr(CH₃COCHCOCH₃))((CH₃C₆H₄)(C₂H₅)NCS₂) 
• 90752-51-5 ((C₉H₇)2Zr(CH₃COCHCOCH₃))⁽¹⁺⁾*(C₆H₅CH₂)(CH₃)NCS₂^(1-)=((C₉H₇)2Zr(CH₃COCHCOCH₃))((C₆H₅CH₂)(CH₃)NCS₂) 
• 90752-53-7 ((C₉H₇)2Zr(CH₃COCHCOCH₃))⁽¹⁺⁾*(C₆H₁₁)(C₂H₅)NCS₂^(1-)=((C₉H₇)2Zr(CH₃COCHCOCH₃))((C₆H₁₁)(C₂H₅)NCS₂) 
• 91947-83-0 (C₉H₇)2Zr(OC₆H₄Cl)Cl 
• 91947-87-4 (C₉H₇)2Zr(OC₆H₄Cl)2 

Relevant articles and documents

π-Indenyl substituted zirconium compounds containing terminal bonded phosphanylphosphido ligands [Ind2Zr(Cl){(Me3Si)P-PR 2-κP1}]. Synthesis, X-ray analysis and NMR studies

Dichloro-bis(indenyl)zirconium(IV) reacts with lithium derivatives of diphosphanes R2P-P(SiMe3)Li (R = tBu, Et 2N, iPr2N) to form complexes with terminal phosphanylphosphido ligands - [Ind2Zr(Cl)-{(PSiMe3)P- PR2-κP1}]. These compounds are extremely sensitive towards moisture and oxygen. The solid state structures of these complexes were established by single crystal X-ray diffraction. The nitrogen bearing groups R (Et2N or iPr2N) significantly lengthen the P-P distances in the related complexes and change the geometry around the phosphido phosphorus in such a way that it becomes less planar.

Selective halodemethylation reactions of metallocene dimethyls with triphenylmethyl chloride and benzyl bromide

NMR-scale reactions of several group 4 metallocene dimethyls with either trityl chloride or benzyl bromide gave the corresponding L2M(Me)X complexes selectively. Five reactions, including syntheses of Cp2-Zr(Me)Cl and Ind2Zr(Me)Cl, were conducted on a preparative scale to afford useful isolated yields of L2M-(Me)Cl complexes.

Methyl-versus-chloride exchange as a measure of electron density at the metal center of ring-substituted zirconocene complexes

Methyl-versus-cloride exchange equilibria between different zirconocene complexes provide a sensitive measure of relative electron densities at the Zr centers of these complexes. As expected, methyl and trimethyl silyl substituents increase the electron density at the Zr center of a bis(cyclopentadienyl) Zr(IV) complex; the same holds for a dimethyl silyl bridge. In bis(indenyl) complexes, on the other hand, electron density at the metal center is reduced and substituent and bridge effects are different from those observed in bis(cyclopentadienyl) Zr(IV) complexes.