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Zirconium acetate structure
Zirconium acetate structure

Zirconium acetate

Iupac Name:acetic acid;zirconium
CAS No.: 7585-20-8
Molecular Weight:327.4
Modify Date.: 2022-11-30 11:17
1. Names and Identifiers
1.1 Name
Zirconium acetate
1.2 Synonyms

221-759-6 231-492-7 Acetic acid, zirconium(2+) salt (2:1) Acetic acid, zirconiuMsalt (1:) Acetic acid/zirconium,(1:x) salt Aceticacid,zirconiumsalt Zirconium acetate solution ZIRCONIUM ACETATE, SOLUTION IN DILUTE AC ETIC ACID zirconium(+2) cation diacetate zirconium(+2) cation diethanoate zirconium(2+) acetate Zirconium(2+) diacetate Zirconiumacetat Zirconiumacetate,basic

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1.3 CAS No.
7585-20-8
1.4 CID
11141997
1.5 EINECS(EC#)
231-492-7
1.6 Molecular Formula
C8H12O8Zr (isomer)
1.7 Inchi
InChI=1S/4C2H4O2.Zr/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4
1.8 InChIkey
MFFVROSEPLMJAP-UHFFFAOYSA-J
1.9 Canonical Smiles
CC(=O)O[Zr](OC(C)=O)(OC(C)=O)OC(C)=O
1.10 Isomers Smiles
CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[Zr]
2. Properties
2.1 Density
1.279?g/mL?at 25?°C
2.1 Stability
Stable under recommended storage conditions.
3. Safety and Handling
3.1 Hazard Codes
Xi
3.1 Risk Statements
36/38
3.1 Safety Statements
26
3.1 RIDADR
UN 2790 8/PG 3
3.1 WGK Germany
1
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Other Information
6.0 Chemical Properties
(1) Available as aqueous solution, 22% ZrO2. Clear to pale-amber liquid. D 1.46, pH 3.8– 4.2 (20C), fp ?7C, stable at room temperature. (2) Available as 13% ZrO2 (aqueous solution). D 1.20 (approx.), pH 3.3–4.0 (20C), stable at room temperature but temperature of hydrolysis decreases with pH; undergoes exchange with anion-exchange resins but not with cation exchangers.
6.1 Uses
Zirconium acetate solution is a metallic salt solution that can be used for a variety of applications such as:
  • a zirconium based precursor for the development of zirconia coatings
  • a stabilizer for colloidal solutions, controlled growth of ice crystals, water proofing, and flame retardant treatments

6.2 Uses
Preparation of water repellents, other chemicals.
6.3 Flammability and Explosibility
Nonflammable
7. Computational chemical data
  • Molecular Weight: 327.4g/mol
  • Molecular Formula: C8H12O8Zr
  • Compound Is Canonicalized: True
  • XLogP3-AA:
  • Exact Mass: 329.989216
  • Monoisotopic Mass: 329.989216
  • Complexity: 178
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Topological Polar Surface Area: 149
  • 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: AAADceBwPAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACAgAACCAAAAgAIAACQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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