3D Mol Similar

Zirconium basic carbonate

Iupac Name：hydrogen carbonate;zirconium(4+)

CAS No.：57219-64-4

Molecular Weight：335.288

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1. Names and Identifiers

1.1 Name: Zirconium basic carbonate
1.2 Synonyms: [mu-[carbonato(2-)-o:o’]]dihydroxydioxodi-zirconiu [μ-[carbonato(2-)-O:O’]]dihydroxydioxodi-Zirconium [Μ-Carbonato(2-)-κO:κO'](dihydroxy)dioxodizirconium Einecs 260-633-5 hydrogen carbonate,zirconium(4+) MFCD00054113 Zirconium basic carbonate, Zirconium(IV) carbonate basic Zirconium(IV) carbon ZirconiuM(IV) carbonate b Zirconium, [Μ-carbonato(2-)-κO:κO']dihydroxydioxodi- ZirkoniuM(IV)carbonate basic

1.3 CAS No.: 57219-64-4

1.4 CID: 22645944

1.5 EINECS(EC#): 260-633-5

1.6 Molecular Formula: C4H4O12Zr (isomer)

1.7 Inchi: InChI=1S/4CH2O3.Zr/c4*2-1(3)4;/h4*(H2,2,3,4);/q;;;;+4/p-4

1.8 InChkey: BSZKBMAGLBURDO-UHFFFAOYSA-J

1.9 Canonical Smiles: C(=O)(O)[O-].C(=O)(O)[O-].C(=O)(O)[O-].C(=O)(O)[O-].[Zr+4]

1.10 Isomers Smiles: C(=O)(O)[O-].C(=O)(O)[O-].C(=O)(O)[O-].C(=O)(O)[O-].[Zr+4]

2. Properties

3.1 Density: 2.2

3.1 Melting point: 135 oC (dec.)

3.1 Precise Quality: 305.78900

3.1 PSA: 110.13000

3.1 logP: -0.52300

3.1 Appearance: White powder

3.2 Color/Form: White

3.3 Water Solubility: Insoluble in water. Soluble in hot concentrated acids.

3. Use and Manufacturing

4.1 Storage: Ambient temperatures.

4. Safety and Handling

5.1 Risk Statements: 36/37/38

5.1 Safety Statements: 26-36

5.1 RIDADR: NONH for all modes of transport

5.1 WGK Germany: 1

5.1 Safety: WGK Germany: 1

5.2 Specification: The extinguishing agent of Zirconium basic carbonate (CAS NO.57219-64-4) are dry powder, foam, sand, carbon dioxide, water mist.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. Other Information

6.0 Usage: Zirconium Carbonate is used in the manufacturing of paint drier auxiliaries, pigments, water proof.

7. Computational chemical data

Molecular Weight：335.288g/mol
Molecular Formula：C₄H₄O₁₂Zr
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：333.874974
Monoisotopic Mass：333.874974
Complexity：24.8
Rotatable Bond Count：0
Hydrogen Bond Donor Count：4
Hydrogen Bond Acceptor Count：12
Topological Polar Surface Area：241
Heavy Atom Count：17
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：5

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