Zirconium basic carbonate
- Iupac Name：hydrogen carbonate;zirconium(4+)
- CAS No.: 57219-64-4
- Molecular Weight：308.47
- Modify Date.: 2022-12-11 03:50
- Introduction:
It is mainly used for the production of catalysts and other zirconium compounds.
Intermediates
Paints and coatings
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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, (mu-(carbonato(2-)-o:o'))dihydroxydioxodi- 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
- CH2O7Zr2 (isomer)
- 1.7 Inchi
- InChI=1S/CH2O3.2H2O.2O.2Zr/c2-1(3)4;;;;;;/h(H2,2,3,4);2*1H2;;;;/q;;;;;2*+2/p-4
- 1.8 InChkey
- ACWOHNQUPJAZIT-UHFFFAOYSA-J
- 1.9 Canonical Smiles
- O[Zr](=O)OC(=O)O[Zr](O)=O
- 1.10 Isomers Smiles
- C(=O)(O)[O-].C(=O)(O)[O-].C(=O)(O)[O-].C(=O)(O)[O-].[Zr+4]
2. Properties
- 2.1 Density
- 2.2
- 2.1 Melting point
- 135?°C (dec.)(lit.)
- 2.1 Precise Quality
- 305.78900
- 2.1 PSA
- 110.13000
- 2.1 logP
- -0.52300
- 2.1 Appearance
- White Powder
- 2.2 Storage
- Ambient temperatures.
- 2.3 Color/Form
- White
- 2.4 Water Solubility
- Insoluble in water. soluble in hot concentrated acids.
3. Safety and Handling
- 3.1 Risk Statements
- 36/37/38
- 3.1 Safety Statements
- 26-36
- 3.1 RIDADR
- NONH for all modes of transport
- 3.1 WGK Germany
- 1
- 3.1 Safety
-
WGK Germany: 1
- 3.2 Specification
-
The extinguishing agent of Zirconium basic carbonate (CAS NO.57219-64-4) are dry powder, foam, sand, carbon dioxide, water mist.
4. 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
5. Other Information
- 5.0 Usage
- Zirconium Carbonate is used in the manufacturing of paint drier auxiliaries, pigments, water proof.
- 5.1 Production
- 500,000 - 1,000,000 lb
- 5.2 Manufacturing Info
- All other basic inorganic chemical manufacturing|Zirconium, [.mu.-[carbonato(2-)-.kappa.O:.kappa.O']]dihydroxydioxodi-: ACTIVE
- 5.3 Flammability and Explosibility
- Nonflammable
6. Computational chemical data
- Molecular Weight: 308.47g/mol
- Molecular Formula: CH2O7Zr2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- 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
- CACTVS Substructure Key Fingerprint: AAADcYBgPAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAACAAAAAAAAAAACAAAAgAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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