Bis(n-butylcyclopentadienyl)zirconium dichloride supplier

Name
Bis(n-butylcyclopentadienyl)zirconium dichloride
EINECS 416-980-1
CAS No. 73364-10-0
Density
Solubility
Melting Point 98.7-99.4 °C(lit.)
Formula C₁₈H₂₆Cl₂Zr
Boiling Point
Molecular Weight 404.534
Flash Point
Transport Information
Appearance white crystalline powder or needles
Safety 45-36/37/39-26
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms 1,3-Cyclopentadiene,1-butyl-, zirconium complex;1,1'-Dibutylzirconocene dichloride;Bis(butylcyclopentadienyl)dichlorozirconium;Bis(butylcyclopentadienyl)zirconium dichloride;Bis(n-butylcyclopentadienyl)zirconium dichloride;Bis(h5-butylcyclopentadienyl)dichlorozirconium;Dibutylzirconocene dichloride;Eurecen 5031;Eurocene 5031;
PSA 0.00000
LogP 6.54280

Synthetic route

: 62247-87-4
n-butyl cyclopentadiene

: 78347-54-3
1-(n-C4H9)C5H5

: 10026-11-6
zirconium(IV) chloride

: 73364-10-0
bis(n-butylcyclopentadienyl)zirconium dichloride

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; 1,2-dimethoxyethane; hexane 1:1 mixt. of 1- and 2-(n-C4H9)C5H5 was dissolved in THF and treated with n-BuLi in hexane followed by ZrCl4 in glyme; recrystd. from heptane; elem. anal.;	68%

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: 16853-85-3
lithium aluminium tetrahydride

: 73364-10-0
bis(n-butylcyclopentadienyl)zirconium dichloride

: 914809-03-3
(n-BuCp)2ZrH3AlH2

Conditions

Conditions	Yield
In diethyl ether (inert atmosphere); a soln. of Zr complex stirred at 0°C, LiAlH4 in Et2O added, allowed to warm to room temp.; filtered, evapd.;	99%
In diethyl ether byproducts: LiCl; suspn. of (nBuCp)2ZrCl2 (3.2 mmol) in ether prepared in Schlenk flask under Ar; soln. of LiAlH4 (7.07 mmol) in ether added (0°C); kept (30 min, 0°C); filtered; concd. to dryness (vac.); extd. into toluene; filtered; concd.to dryness (vac.);

: 73364-10-0
bis(n-butylcyclopentadienyl)zirconium dichloride

: 10026-11-6
zirconium(IV) chloride

: (n-butylcyclopentadienyl)zirconium chloride

Conditions

Conditions	Yield
In toluene at 120℃; for 16h; Schlenk technique;	99%

: 73364-10-0
bis(n-butylcyclopentadienyl)zirconium dichloride

: 10026-11-6
zirconium(IV) chloride

: 329735-75-3
(2-butylcyclopenta-2,4-dienyl)zirconium(IV) chloride

Conditions

Conditions	Yield
In toluene at 20℃; for 20h; Heating / reflux;	87%

: 73364-10-0
bis(n-butylcyclopentadienyl)zirconium dichloride

: 3824-94-0
silver(I) perfluorooctane sulfonate

: 7732-18-5
water

: [n-BuCpZr(OH2)3]2(μ2-OH)2(OSO2C8F17)4*6H2O

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 2h; Darkness; Inert atmosphere;	65%

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: 73364-10-0
bis(n-butylcyclopentadienyl)zirconium dichloride

: 928-49-4
hex-3-yne

: 1160580-39-1
2-n-butyl-4,5,6,7-tetraethylindene

Conditions

Conditions	Yield
Stage #1: bis(n-butylcyclopentadienyl)zirconium dichloride With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: hex-3-yne In tetrahydrofuran; hexane at -78 - 20℃; Stage #3: With titanium tetrachloride In tetrahydrofuran; hexane at 20℃; for 3h;	17%

: 73364-10-0
bis(n-butylcyclopentadienyl)zirconium dichloride

: 15772-82-4
trideuteriomethyl-lithium

: (C4H9C5H4)2Zr(CD3)2

Conditions

Conditions	Yield
In diethyl ether according to Samuel, E.; Rausch, M.D. J.Am. Chem. Soc. 1973, 96, 6263; quenched by Me3SiCl, isolated by extn. wiht hexane, purity was verified by NMR and mass spectroscopy;

: 73364-10-0
bis(n-butylcyclopentadienyl)zirconium dichloride

: 75-24-1
trimethylaluminum

: 107810-21-9
(Cp-n-Bu)2ZrClMe

Conditions

Conditions	Yield
In (2)H8-toluene at 20°C; not isolated, detected by NMR;

: 73364-10-0
bis(n-butylcyclopentadienyl)zirconium dichloride

: 75-24-1
trimethylaluminum

: trityl tetrakis(pentafluorophenyl)borate

: [(Cp-n-Bu)2Zr(μ-Me)2AlMe2][B(C6F5)4]

Conditions

Conditions	Yield
In (2)H8-toluene at 20°C; not isolated, detected by NMR;

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Bis(n-butylcyclopentadienyl)zirconium dichloride Specification

The Bis(n-butylcyclopentadienyl)zirconium dichloride, with CAS registry number 73364-10-0, belongs to the following product categories: (1)Classes of Metal Compounds; (2)Metallocenes; (3)Titanocene, etc.; (4)Transition Metal Compounds; (5)Zr (Zirconium) Compounds; (6)Catalysis and Inorganic Chemistry; (7)Chemical Synthesis; (8)Zirconium. It has the systematic name of 1-butylcyclopentane-1,2,3,4,5-pentayl - dichlorozirconium (2:1). Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. And this chemical is a kind of white crystalline powder or needles.

When you are using this chemical, please be cautious about it as the following:
The Bis(n-butylcyclopentadienyl)zirconium dichloride may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: CCCC[C]1[CH][CH][CH][CH]1.CCCC[C]1[CH][CH][CH][CH]1.Cl[Zr]Cl
(2)InChI: InChI=1/2C9H13.2ClH.Zr/c2*1-2-3-6-9-7-4-5-8-9;;;/h2*4-5,7-8H,2-3,6H2,1H3;2*1H;/q;;;;+2/p-2/r2C9H13.Cl2Zr/c2*1-2-3-6-9-7-4-5-8-9;1-3-2/h2*4-5,7-8H,2-3,6H2,1H3
(3)InChIKey: KZUKCLOWAMFDDB-YCMWFCACAU
(4)Std. InChI: InChI=1S/2C9H13.2ClH.Zr/c2*1-2-3-6-9-7-4-5-8-9;;;/h2*4-5,7-8H,2-3,6H2,1H3;2*1H;/q;;;;+2/p-2
(5)Std. InChIKey: KZUKCLOWAMFDDB-UHFFFAOYSA-L

Product Name

Bis(n-butylcyclopentadienyl)zirconium dichloride

Synthetic route

Bis(n-butylcyclopentadienyl)zirconium dichloride Specification

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