Zirconium carbonate oxide
- CAS No.: 12671-00-0
- Molecular Weight：185.25
- Modify Date.: 2022-11-05 06:51
- Introduction: Zirconium carbonate (3ZrO2?CO2?H2O), when used as an additive to lotion, is an effectivetreatment for skin exposed to poison ivy.
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1. Names and Identifiers
- 1.1 Name
- Zirconium carbonate oxide
- 1.2 Synonyms
(Carbonato)pentaoxotrizirconium oxygen(2-),zirconium(4+),carbonate,hydrate Zirconium carbonate basic hydrate white powder Zirconium carbonate monohydrate Zirconium carbonate oxide Zirconium carbonate oxide (Zr3(CO3)O5), hydrate (1:1) Zirconium carbonate oxide (Zr3(CO3)O5), monohydrate Zirconium carbonate oxide hydrate (Zr3O5(CO3).H2O) ZIRCONIUM CARBONATE, BASIC ZIRCONIUM CARBONATE, BASIC HYDRATE ZIRCONIUM(IV)CARBONATE, BASIC HYDRATE Zirconium, (carbonato)pentaoxotri-, monohydrate Zirconium, [carbonato(2-)]pentaoxotri-, hydrate Zirconium, [carbonato(2-)]pentaoxotri-, monohydrate
- 1.3 CAS No.
- 12671-00-0
- 1.4 CID
- 156591876
- 1.5 EINECS(EC#)
- 260-633-5
- 1.6 Molecular Formula
- CH2O5Zr-2 (isomer)
- 1.7 Inchi
- InChI=1S/CH2O3.H2O.O.Zr/c2-1(3)4;;;/h(H2,2,3,4);1H2;;/p-2
- 1.8 InChkey
- YWBVOWRHAAXQCU-UHFFFAOYSA-L
- 1.9 Canonical Smiles
- C(=O)([O-])[O-].O.[O].[Zr]
- 1.10 Isomers Smiles
- C(=O)([O-])[O-].O.[O].[Zr]
2. Properties
- 2.1 Melting point
- 135 oC (dec.)(lit.)
- 2.1 Boiling point
- °Cat760mmHg
- 2.1 Flash Point
- °C
- 2.1 Precise Quality
- 183.894922
- 2.1 PSA
- 144.14000
- 2.1 logP
- -0.84420
- 2.1 Solubility
- insoluble H2O; soluble acids [HAW93]
- 2.2 Appearance
- white powder
- 2.3 Chemical Properties
- White, amorphous powder. Soluble inacids; insoluble in water.
- 2.4 Color/Form
- white
- 2.5 Water Solubility
- insoluble
- 2.6 Stability
- Stable. Not flammable.
3. Use and Manufacturing
- 3.1 Usage
- Zirconium carbonate (3ZrO2?CO2?H2O), when used as an additive to lotion, is an effectivetreatment for skin exposed to poison ivy.
4. Safety and Handling
- 4.1 WGK Germany
- 1
- 4.1 Safety
-
WGK Germany: 1
- 4.2 Specification
-
The extinguishing agent of Zirconium carbonate oxide (CAS NO.12671-00-0) are dry powder, foam, sand, carbon dioxide, water mist.
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Other Information
- 6.0 Chemical Properties
- White, amorphous powder. Soluble in acids; insoluble in water.
- 6.1 Uses
- Preparation of zirconium oxide.
7. Computational chemical data
- Molecular Weight: 185.25g/mol
- Molecular Formula: CH2O5Zr-2
- Compound Is Canonicalized: True
- XLogP3-AA:
- Exact Mass: 183.894922
- Monoisotopic Mass: 183.894922
- Complexity: 18.8
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 65.2
- Heavy Atom Count: 7
- 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: 4
- CACTVS Substructure Key Fingerprint: AAADcQAAOAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAACAAAAAAAAAAACAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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