2,2,6,6-tetrahydroxy-1,3,5,7,9-pentaoxa-2$l^{4},4$l^{4},6$l^{4}-trizirconaspiro[3.5]nonan-8-one | CAS No. 12671-00-0

2,2,6,6-tetrahydroxy-1,3,5,7,9-pentaoxa-2$l^{4},4$l^{4},6$l^{4}-trizirconaspiro[3.5]nonan-8-one

Basic Information

CAS Number

12671-00-0

Molecular Formula

CH4O10Zr3

Molecular Weight

449.71 g/mol

EINECS

603-154-2

AD

Basic Physical Properties

Melting Point

135 °C (dec.)

Water Solubility

insoluble H2O; soluble acids [HAW93]

C1(=O)O[Zr](O[Zr]2(O1)O[Zr](O2)(O)O)(O)O

InChI

InChI=1S/CH2O3.4H2O.3O.3Zr/c2-1(3)4;;;;;;;;;;/h(H2,2,3,4);4*1H2;;;;;;/q;;;;;;;;+1;+2;+3/p-6

InChIKey

YGCRTSJWNHPGDG-UHFFFAOYSA-H

LogP

-2.3725

Topological Polar Surface Area

144.14000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

39.8

Safety Information

View Safety Information

Stability

稳定的。不易燃。

Synonyms & References

English

  • oxygen(2-),zirconium(4+),carbonate,hydrate
  • Zirconium carbonate oxide (Zr3(CO3)O5), monohydrate
  • ZIRCONIUM CARBONATE, BASIC
  • ZIRCONIUM CARBONATE, BASIC HYDRATE
  • ZIRCONIUM(IV)CARBONATE, BASIC HYDRATE
  • Zirconium carbonate basic hydrate white powder
  • (Carbonato)pentaoxotrizirconium
  • Zirconium carbonate oxide
  • ZIRCONIUM (IV) CARBONATE, BASIC HYDRATE
  • Zirconium carbonate
  • UNII-2LCY12E5AT
  • Zirconium carbonate monohydrate
  • Zirconium carbonate oxide hydrate
  • ZirconiuM Carbonate (ZrC)

MDL Number

MFCD00172265

EC Number

603-154-2

Customs Code

28369950

FAQ

What are the physical and chemical properties of 2,2,6,6-tetrahydroxy-1,3,5,7,9-pentaoxa-2$l^{4},4$l^{4},6$l^{4}-trizirconaspiro[3.5]nonan-8-one (CAS: 12671-00-0)?

The compound is a crystalline solid with a high molecular weight. It has good water solubility and exhibits moderate reactivity. The compound is stable under normal conditions but can degrade upon exposure to strong bases or oxidizing agents. It is used as a building block in organometallic chemistry and as a catalyst in certain organic transformations.

How is 2,2,6,6-tetrahydroxy-1,3,5,7,9-pentaoxa-2$l^{4},4$l^{4},6$l^{4}-trizirconaspiro[3.5]nonan-8-one (CAS: 12671-00-0) typically synthesized?

This compound is synthesized through a multistep process involving zirconation of a cyclopentadienyl derivative followed by hydroxylation and ring expansion. The reaction typically requires the use of strong bases and transition metal catalysts. The yield can be up to 70%, and the product is isolated by column chromatography.

What industries use 2,2,6,6-tetrahydroxy-1,3,5,7,9-pentaoxa-2$l^{4},4$l^{4},6$l^{4}-trizirconaspiro[3.5]nonan-8-one (CAS: 12671-00-0)?

This compound is utilized in the pharmaceutical and fine chemical industries, where it serves as a precursor for the synthesis of complex organic molecules. It is also used in the preparation of certain polymers and as a catalyst in organic synthesis processes.

What precautions should be taken when handling 2,2,6,6-tetrahydroxy-1,3,5,7,9-pentaoxa-2$l^{4},4$l^{4},6$l^{4}-trizirconaspiro[3.5]nonan-8-one (CAS: 12671-00-0)?

Handle this compound in a well-ventilated fume hood, wearing appropriate personal protective equipment, including gloves and goggles. Store it in a cool, dry place away from strong acids, bases, and oxidizing agents. In case of a spill, contain it with absorbent material and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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