Zirconium dicarbonate
- Iupac Name:zirconium(4+);dicarbonate
- CAS No.: 36577-48-7
- Molecular Weight:211.24
- Modify Date.: 2022-11-25 02:14
1. Names and Identifiers
- 1.1 Name
- Zirconium dicarbonate
- 1.2 Synonyms
Bis(carbonylbisoxy)zirconium(IV) Dicarbonic acid, zirconium(2+) salt (1:1) EINECS 253-113-4 MFCD00209678 Zirconium (Ⅳ)Carbonat Zirconium (Ⅳ)Carbonat n-Hydrate Zirconium(2+) dicarbonate Zirconium(Ⅳ) carbonate ZIRCONIUM(IV) CARBONATE Zirconium(IV) carbonate hydrate
- 1.3 CAS No.
- 36577-48-7
- 1.4 CID
- 3084632
- 1.5 EINECS(EC#)
- 253-113-4
- 1.6 Molecular Formula
- C2O6Zr (isomer)
- 1.7 Inchi
- InChI=1S/2CH2O3.Zr/c2*2-1(3)4;/h2*(H2,2,3,4);/q;;+4/p-4
- 1.8 InChkey
- XJUNLJFOHNHSAR-UHFFFAOYSA-J
- 1.9 Canonical Smiles
- C(=O)([O-])[O-].C(=O)([O-])[O-].[Zr+4]
- 1.10 Isomers Smiles
- C(=O)([O-])[O-].C(=O)([O-])[O-].[Zr+4]
2. Properties
- 2.1 Melting point
- 166-168°C
- 2.1 Boiling point
- 333.6 °C at 760 mmHg
- 2.1 Flash Point
- 169.8 °C
- 2.1 Precise Quality
- 193.879272
- 2.1 PSA
- 126.38000
- 2.1 logP
- -4.89400
3. Safety and Handling
- 3.1 Risk Statements
- S22-S24/25
- 3.1 Safety Statements
- 22-24/25
- 3.1 Safety
-
Safety Statements: 22-24/25
S22: Do not breathe dust
S24/25: Avoid contact with skin and eyes
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
6. Computational chemical data
- Molecular Weight: 211.24g/mol
- Molecular Formula: C2O6Zr
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 209.874186
- Monoisotopic Mass: 209.874186
- Complexity: 18.8
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 126
- Heavy Atom Count: 9
- 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: 3
- CACTVS Substructure Key Fingerprint: AAADcQBAOAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAACAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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