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Structure

Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex

CAS
89672-77-5
Catalog Number
ACM89672775-1
Category
Other Products
Molecular Weight
591.7
Molecular Formula
C16H18F6O7S2Zr

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Specification

Synonyms
Zirconocene bis(trifluoromethanesulfonate), tetrahydrofuran adduct
Canonical SMILES
C1CCOC1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr+2]
InChI
InChI=1S/2C5H5.C4H8O.2CHF3O3S.Zr/c3*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;/h2*1-5H;1-4H2;2*(H,5,6,7);/q;+2/p-2
InChI Key
OFTAVORSNHLQHT-UHFFFAOYSA-L
Exact Mass
589.944513
Hydrogen Bond Acceptor Count
13
Hydrogen Bond Donor Count
0
Monoisotopic Mass
589.944513
Rotatable Bond Count
0
Topological Polar Surface Area
140 Ų
March 7, 2023


Precursor materials of metal complexes
Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex can be used as the reactant of polyoxometalate transfer for synthesizing zirconium polyoxometalate.

What is the Molecular formula of Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex?

C16H18F6O7S2Zr

What is the Molecular weight of Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex?

591.7

What is the EC number of Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex?

622-028-8

What is the InChIKey of Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex?

OFTAVORSNHLQHT-UHFFFAOYSA-L

What is the SMILES of Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex?

[Zr++].[CH]1[CH][CH][CH][CH]1.[CH]2[CH][CH][CH][CH]2.C3CCOC3.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F

What is the Form of Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex?

Powder to crystal

What is the Color of Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex?

Light yellow to Brown

What is the Flash point of Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex?

175℉

What is the Storage condition of Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex?

Store under dry, cool, enclosed, inert gas environment

What is the LogP of Bis(cyclopentadienyl)zirconium(IV) bis(trifluoromethanesulfonate)tetrahydrofuran complex?

5.1042

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