Product Name

  • Name

    Bis(pentamethylcyclopentadienyl)zirconium dichloride

  • EINECS
  • CAS No. 54039-38-2
  • Density
  • Solubility
  • Melting Point >300 °C(lit.)
  • Formula C20H30Cl2Zr
  • Boiling Point 170.2 °C at 760 mmHg
  • Molecular Weight 432.588
  • Flash Point 44.4 °C
  • Transport Information UN 3261
  • Appearance light green to yellow-green crystalline powder
  • Safety 26-36/37/39-45
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 54039-38-2 (Bis(pentamethylcyclopentadienyl)zirconium dichloride)
  • Hazard Symbols CorrosiveC
  • Synonyms Bis(1,2,3,4,5-pentamethylcyclopentadienyl)zirconiumdichloride;Bis(pentamethylcyclopentadienyl)zirconium dichloride;Bis(h5-pentamethylcyclopentadienyl)zirconiumdichloride;Decamethylzirconocene dichloride;Dichlorobis(pentamethylcyclopentadienyl)zirconium;Dichlorobis(h5-pentamethylcyclopentadienyl)zirconium;
  • PSA 0.00000
  • LogP 7.32300

Bis(pentamethylcyclopentadienyl)zirconium dichloride Specification

The Bis(pentamethylcyclopentadienyl)zirconium dichloride, with the cas registry number 54039-38-2, is also known as Zirconium(2+), bis(2,3,4,5,5-pentamethyl-1,3-cyclopentadien-1-yl)-, chloride (1:2). It belongs to the product categories of Classes of Metal Compounds; Metallocenes; Titanocene, etc.; Transition Metal Compounds; Zr (Zirconium) Compounds. This chemical's molecular formula is C20H30Cl2Zr and formula weight is 432.58. What's more, its systematic name is called Bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)zirconium(2+) dichloride. This chemical is light green to yellow-green crystalline powder.

Physical properties about this chemical are: Physical properties about this chemical are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Melting Point: 300 °C; (5)Boiling Point: 170.2 °C at 760 mmHg; (6)Flash Point: 44.4 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. Secondly, it can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[Cl-].CC2(C)C(\[Zr+2]\C1=C(/C)\C(\C)=C(\C)C1(C)C)=C(\C)C(\C)=C2\C
(2)InChI: InChI=1/2C10H15.2ClH.Zr/c2*1-7-6-10(4,5)9(3)8(7)2;;;/h2*1-5H3;2*1H;/q;;;;+2/p-2/rC20H30Zr.2ClH/c1-11-13(3)17(19(7,8)15(11)5)21-18-14(4)12(2)16(6)20(18,9)10;;/h1-10H3;2*1H/q+2;;/p-2
(3)InChIKey: BCEOULZTAVYBKB-PZUOEGNSAD

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