Bis(cyclopentadienyl)zirconium dichloride

Details:

1. Introduction of Bis(cyclopentadienyl)zirconium dichloride
Bis(cyclopentadienyl)zirconium dichloride, with the CAS registry number 1291-32-3, is also known as Bis(cyclopentadienyl)zirconium dichloride, Dichloro(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-ylzirconium. It belongs to the product categories of Classes of Metal Compounds; Metallocenes; Titanocene, etc.; Transition Metal Compounds; Zr (Zirconium) Compounds; Catalyst; Metallocene. Its EINECS registry number is 215-066-8. What's more, its systematic name is called . It is a colourless diamagnetic solid that is somewhat stable in air.

2. Properties of Bis(cyclopentadienyl)zirconium dichloride
1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2.

3. Structure Descriptors of Bis(cyclopentadienyl)zirconium dichloride
(1) SMILES: Cl[Zr](Cl)(C/1/C=C\C=C\1)C=2C\C=C/C=2
(2) InChI: InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h1-3H,4H2;1-5H;2*1H;/q;;;;+2/p-2
(3) InChIKey: LMKLOQOWEOYSSR-UHFFFAOYSA-L

4. Toxicity of Bis(cyclopentadienyl)zirconium dichloride

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	30mg/kg (30mg/kg)		Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. Vol. PH43-64-886,

5. Safety Information of Bis(cyclopentadienyl)zirconium dichloride
Hazard Symbols:
Risk Codes:
36/37/38
Safety Description:
26-36 Details

6. Preparation of Bis(cyclopentadienyl)zirconium dichloride
Bis(cyclopentadienyl)zirconium dichloride can be prepared from zirconium(IV) chloride-THF complex and sodium cyclopentadienide.

ZrC_l4(THF)₂ + 2NaCp → Cp₂ZrCl₂ + 2NaCl + 2THF

7. Use of Bis(cyclopentadienyl)zirconium dichloride
(1) Bis(cyclopentadienyl)zirconium dichloride is used as rubber accelerator;
(2) it is used to produce other chemicals. For example, it can react with lithium aluminium hydride to give Cp2ZrHCl Schwartz's reagent. Since lithium aluminium hydride is a strong reductant, some over-reduction occurs to give the dihydrido complex, Cp₂ZrH₂; treatment of the product mixture converts it to Schwartz's reagent.

(C₅H₅)₂ZrCl₂ + 1/4 LiAlH₄ → (C₅H₅)₂ZrHCl + 1/4 "LiAlCl₄"

8. Other details of Bis(cyclopentadienyl)zirconium dichloride
When you are dealing with this chemical, you should be very careful. Bis(cyclopentadienyl)zirconium dichloride is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.