RAC-ETHYLENEBIS(4,5,6,7-TETRAHYDRO-1-INDENYL)ZIRCONIUM DICHLORIDE

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Product Information

Molecular Formula:
C20H24Cl2Zr 10*
Molecular Weight:
426.53
Description
• Chiral Ziegler-Natta catalyst
Synonyms
(R)-ETHYLENEBIS(4,5,6,7-TETRAHYDRO-1-INDENYL)ZIRCONIUM DICHLORIDE; (S)-ETHYLENEBIS(4,5,6,7-TETRAHYDRO-1-INDENYL)ZIRCONIUM DICHLORIDE; RAC-DICHLOROETHYLENEBIS-(4,5,6,7-TETRAHYDRO-1-INDENYL)-ZIRCONIUM(IV); RAC-ETHYLENEBIS(4,5,6,7-TETRAHYDRO-1-INDENYL)ZIRCONIU
IUPAC Name
2-[2-(4,5,6,7-tetrahydro-1H-inden-1-id-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-inden-1-idezirconium(2+)dichloride
Canonical SMILES
C1CCC2=C(C1)[CH-]C(=C2)CCC3=CC4=C([CH-]3)CCCC4.[Cl-].[Cl-].[Zr+2]
InChI
InChI=1S/C20H24.2ClH.Zr/c1-2-6-18-12-15(11-17(18)5-1)9-10-16-13-19-7-3-4-8-20(19)14-16/h11-14H,1-10H22*1H/q-2+2/p-2
InChI Key
XQESWDBQMFOLST-UHFFFAOYSA-L
Melting Point
267-271ºC(lit.)
Flash Point
Not applicable
Purity
95%
Appearance
solid

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
424.030205 g/mol
Monoisotopic Mass
424.030205 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
23
Formal Charge
-2
Complexity
294
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
4
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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