Zirconyl chloride octahydrate
- Iupac Name：oxozirconium;octahydrate;dihydrochloride
- CAS No.: 13520-92-8
- Molecular Weight：322.25
- Modify Date.: 2023-04-28 06:28
- Introduction: To prepare high quality pigment toners, in deodorants, antiperspirants, cosmetics and textile.
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1. Names and Identifiers
- 1.1 Name
- Zirconyl chloride octahydrate
- 1.2 Synonyms
DICHLOROOXOZIRCONIUM OCTAHYDRATE EINECS 231-717-9 MFCD00149898 Oxozirconium dihydrochloride octahydrate oxozirconium,octahydrate,dihydrochloride ZirconiuM Chloride octahydrate Zirconium chloride oxide octahydrate Zirconium dihydrochloride nonahydrate zirconium oxychloride octahydrate Zirconium(Ⅳ)oxychloride octahydrate Zirconium(IV) oxide chloride Zirconium(IV) oxychloride octahydrate Zirconium, dichlorooxo-, octahydrate (8CI,9CI) Zirconium, oxo-, hydrochloride, hydrate (1:2:8) Zirconyl chloride oc ZIRCONYL CHLORIDE TECHNICAL Zirconyl Chloride, Octahydrate, Reagent, ACS zirconyl(di)chloride
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- 1.3 CAS No.
- 13520-92-8
- 1.4 CID
- 159678
- 1.5 EINECS(EC#)
- 603-909-6
- 1.6 Molecular Formula
- Cl2H16O9Zr (isomer)
- 1.7 Inchi
- InChI=1S/2ClH.8H2O.O.Zr/h2*1H;8*1H2;;/q;;;;;;;;;;;+2/p-2
- 1.8 InChIkey
- IZYKRMGFEBSOSO-UHFFFAOYSA-L
- 1.9 Canonical Smiles
- O.O.O.O.O.O.O.O.Cl[Zr](Cl)=O
- 1.10 Isomers Smiles
- O.O.O.O.O.O.O.O.O=[Zr].Cl.Cl
2. Properties
- 2.1 Density
- 1.91
- 2.1 Melting point
- 400°C (dec.)
- 2.1 Boiling point
- 210°C
- 2.1 Refractive index
- 1.552
- 2.1 Flash Point
- °C
- 2.1 Precise Quality
- 319.92200
- 2.1 PSA
- 90.91000
- 2.1 logP
- 0.74580
- 2.1 Solubility
- H2O: soluble
- 2.2 Appearance
- solid
- 2.3 Storage
- Hygroscopic. Store under Nitrogen. Ambient temperatures.
- 2.4 Chemical Properties
- solid
- 2.5 Color/Form
- White solid
- 2.6 Odor
- Odorless
- 2.7 PH
- 1 (50g/l, H2O, 20℃)
- 2.8 Water Solubility
- H2O: soluble
- 2.9 Stability
- Stable, but may be moisture sensitive. Incompatible with strong oxidizing agents.
- 2.10 StorageTemp
- Store at +15°C to +25°C.
3. Use and Manufacturing
- 3.1 Purification Methods
- Recrystallise the chloride several times from water [Ferragina et al. J Chem Soc, Dalton Trans 265 1986]. Recrystallisation from 8M HCl gives the octahydrate as white needles on concentrating. It is also formed by hydrolysing ZrCl4 with water. After one recrystallisation from H2O, 99+% grade zirconyl chloride had Ag, Al, As, Cd, Cu, Hf, Mg, Na, Sc and V at 20, 1.8, 0.6, 0.6, 0.4, 8.4, 0.4, 2.4, 80 and 3 ppm, respectively. (See above.) METAL-ORGANIC COMPOUNDS This section contains metal-organic compounds as well as ammonium and metal salts of organic acids. (For Introduction see p 445.) Zirconyl chloride octahydrate Preparation Products And Raw materials Preparation Products
- 3.2 Usage
- To prepare high quality pigment toners, in deodorants, antiperspirants, cosmetics and textile.
4. Safety and Handling
- 4.1 Symbol
- GHS05
- 4.1 Hazard Codes
- C
- 4.1 Signal Word
- Danger
- 4.1 Risk Statements
- 34-22-37
- 4.1 Safety Statements
- 26-36/37/39-45-27
- 4.1 Packing Group
- III
- 4.1 Other Preventative Measures
- SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants. - View all
- 4.2 Hazard Class
- 8
- 4.2 Hazard Declaration
- H314
- 4.2 Cleanup Methods
- 1. Ventilate area of spill. 2. Collect spilled material in the most convenient and safe manner and deposit in sealed containers for reclamation... . /Zirconium compound (as Zr)/
- 4.3 DisposalMethods
- SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Disposal is usually carried out by neutralization with lime under controlled conditions at a licensed waste material processor.
- 4.4 RIDADR
- UN 3264 8/PG 3
- 4.4 Caution Statement
- P280-P305 + P351 + P338-P310
- 4.4 Formulations/Preparations
- Grades: Technical; 36% ZrO2; High Purity. /Zirconium oxychloride octahydrate/
- 4.5 WGK Germany
- 1
- 4.5 RTECS
- ZH7250000
- 4.5 Protective Equipment and Clothing
- Clothing contaminated with zirconium oxychloride, zirconyl acetate, or zirconium tetrachloride should be placed in closed containers for storage until it can be discarded or until provision is made for the removal of containment from the clothing. If the clothing is to be laundered or otherwise cleaned to remove the contaminant, the person performing the operation should be informed of contaminant's hazardous properties.
Non-impervious clothing which becomes contaminated with zirconium oxide, zirconium oxychloride, zirconyl acetate or zirconium tetrachloride should be removed promptly and not reworn until the contaminant is removed from the clothing.
Employees should be provided with and required to use impervious clothing, gloves, face shields (eight-in minimum), and other appropriate protective clothing necessary to prevent repeated or prolonged skin contact with zirconium oxide, zirconium oxychloride, zirconyl acetate, or liquids containing these compounds, and to prevent skin contact with zirconium tetrachloride or liquids containing zirconium tetrachloride, where skin contact may occur. /Zirconium compounds/
Respirator Recommendations: Up to 25 mg/cu m: (Assigned Protection Factor = 5) Any dust and mist respirator. /Zirconium compounds (as Zr)/
Respirator Recommendations: Up to 50 mg/cu m: (Assigned Protection Factor = 10) Any dust and mist respirator except single-use and quarter-mask respirators/(Assigned Protection Factor = 25) Any powered, air-purifying respirator with a dust and mist filter/(Assigned Protection Factor = 50) Any air-purifying, full-facepiece respirator with a high-efficiency particulate filter/(Assigned Protection Factor = 10) Any supplied-air respirator/(Assigned Protection Factor = 50) Any self-contained breathing apparatus with a full facepiece. /Zirconium compounds (as Zr)/
Respirator Recommendations: Emergency or planned entry into unknown concentrations or IDLH conditions: (Assigned Protection Factor = 10,000) Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode/(Assigned Protection Factor = 10,000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus. /Zirconium compounds (as Zr)/
Respirator Recommendations: Escape: (Assigned Protection Factor = 50) Any air-purifying, full-facepiece respirator with a high-efficiency particulate filter/Any appropriate escape-type, self-contained breathing apparatus. /Zirconium compounds (as Zr)/ - View all
- 4.6 Reactivities and Incompatibilities
- Zirconium oxychloride passing into water will become hydrolyzed rapidly at pHs around 7 to give hydrous zirconia which is extremely insoluble in water.
- 4.7 Toxicity
- LD50 orally in Rabbit: 3500 mg/kg
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin corrosion, Category 1B
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Danger |
| Hazard statement(s) | H314 Causes severe skin burns and eye damage |
| Precautionary statement(s) | |
| Prevention | P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
| Storage | P405 Store locked up. |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
6. Other Information
- 6.0 Merck
- 14,10184
- 6.1 Chemical Properties
- solid
- 6.2 Purification Methods
- Recrystallise the chloride several times from water [Ferragina et al. J Chem Soc, Dalton Trans 265 1986]. Recrystallisation from 8M HCl gives the octahydrate as white needles on concentrating. It is also formed by hydrolysing ZrCl4 with water. After one recrystallisation from H2O, 99+% grade zirconyl chloride had Ag, Al, As, Cd, Cu, Hf, Mg, Na, Sc and V at 20, 1.8, 0.6, 0.6, 0.4, 8.4, 0.4, 2.4, 80 and 3 ppm, respectively. (See above.) METAL-ORGANIC COMPOUNDS This section contains metal-organic compounds as well as ammonium and metal salts of organic acids. (For Introduction see p 445.)
- 6.3 Usage
- Zirconium dichloride oxide is utilized as a precursor to prepare other zirconium compounds. It is employed in acid dyes, pigment toners and antiperspirants. It finds application as a rubber additive and a fiber treatment agent. It is also used in paint drying, refractories, ceramics and glaze.
- 6.4 General Description
-
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- 6.5 Synthesis
- Zircon is melted with caustic soda, rinsed, desiliconized, and then reacted with sulfuric acid, and then ammonia water is added to obtain zirconium hydroxide precipitate. Finished zirconium oxychloride.
7. Computational chemical data
- Molecular Weight: 322.25g/mol
- Molecular Formula: Cl2H16O9Zr
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 321.937486
- Monoisotopic Mass: 321.937486
- Complexity: 6
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 9
- Topological Polar Surface Area: 25.1
- Heavy Atom Count: 12
- 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: 11
- CACTVS Substructure Key Fingerprint: AAADceAAPAAGAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Question & Answer
-
Zirconyl chloride octahydrate is a white crystalline substance that serves as the main raw material for producing other zirconium products such as zirconium dioxide, zirconium carbonate, zirconium sul..
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