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749168

Sigma-Aldrich

Zirconium(IV) oxo hydroxy methacrylate

Synonym(s):

Hexameric Zr cluster, Tetra-μ3-hydroxyundecakis [μ-(2-methyl-2-propenoato-κO:κ;O′)](2-methyl-2-propenoato-κO)tetra-μ3-oxohexazirconium

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About This Item

Empirical Formula (Hill Notation):
C48H64O32Zr6
CAS Number:
189028-53-3
Molecular Weight:
1700.35
MDL number:
MFCD22200512
UNSPSC Code:
26111700
PubChem Substance ID:
329765972
NACRES:
NA.23

form

powder

Quality Level

100

mp

>300 °C (lit.)

SMILES string

O.O.CC(=C)C(=O)O[Zr-]1(=O)O\C(=[O+]\[Zr-](=O)(OC(=O)C(C)=C)O\C(=[O+]\[Zr-](=O)(OC(=O)C(C)=C)O\C(=[O+]\[Zr-](=O)(OC(=O)C(C)=C)O\C(=[O+]\[Zr-](=O)(OC(=O)C(C)=C)O\C(=[O+]\[Zr-](=O)(OC(=O)C(C)=C)O\C(=[O+]\1)C(C)=C)C(C)=C)C(C)=C)C(C)=C)C(C)=C)C(C)=C

InChI

1S/12C4H6O2.2H2O.6O.6Zr/c12*1-3(2)4(5)6;;;;;;;;;;;;;;/h12*1H2,2H3,(H,5,6);2*1H2;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;6*+2/p-12

InChI key

DOFDBWIWCJHDLU-UHFFFAOYSA-B

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H317

Hazard Classifications

Skin Irrit. 2 - Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKBJ4131V

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Steffen Hausdorf et al.
Dalton transactions (Cambridge, England : 2003), 7(7), 1107-1113 (2009-03-27)
An ethynylene diisophthalic acid linker molecule was synthesized and used to form a zinc carboxylate-based metal organic framework (MOF) with very large pores and unit cell volume resulting from the unusual combination of structurally different inorganic units forming the secondary
Steffen Hausdorf et al.
Journal of the American Chemical Society, 132(32), 10978-10981 (2010-08-12)
A simple two-component procedure was developed to synthesize not only classical zinc-based IRMOFs represented by MOF-5 but also the cobalt and beryllium homologues of this most prominent MOF. The procedure is the first manifestation of mirroring the IRMOF series with
Steffen Hausdorf et al.
The journal of physical chemistry. A, 112(33), 7567-7576 (2008-07-26)
The contributions of terephthalic acid and Zn(2+)-coordinated water in N,N-diethylformamide (DEF) to the overall proton activity in the synthesis of MOF-5 (Zn4O(BDC)3, BDC = 1,4-benzenedicarboxylate) were quantitatively determined by combined electrochemical and UV-vis spectroscopic measurements. Structural transformations of zinc carboxylate-based

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