Zirconium oxychloride
- Iupac Name：oxozirconium;dihydrochloride
- CAS No.: 7699-43-6
- Molecular Weight：178.12
- Modify Date.: 2022-11-30 13:11
1. Names and Identifiers
- 1.1 Name
- Zirconium oxychloride
- 1.2 Synonyms
basiczirconiumchloride chlorozirconyl ZIRCONIUM CHLORIDE ZIRCONIUM DICHLORIDE OXIDE ZIRCONIUM ICP STANDARD ZIRCONYL CHLORIDE ZROCL2
- 1.3 CAS No.
- 7699-43-6
- 1.4 CID
- 24373
- 1.5 EINECS(EC#)
- 231-717-9
- 1.6 Molecular Formula
- Cl2OZr (isomer)
- 1.7 Inchi
- InChI=1S/2ClH.O.Zr/h2*1H;;/q;;;+2/p-2
- 1.8 InChkey
- IPCAPQRVQMIMAN-UHFFFAOYSA-L
- 1.9 Canonical Smiles
- Cl[Zr](Cl)=O
- 1.10 Isomers Smiles
- O=[Zr].Cl.Cl
2. Properties
- 2.1 Density
- 1.344?g/mL?at 25?°C
- 2.1 Melting point
- ?15?°C
- 2.1 Appearance
- solid
- 2.2 Water Solubility
- Soluble in water
- 2.3 Stability
- Stable. Incompatible with strong oxidizing agents, water, moisture,alkali metals.
3. Safety and Handling
- 3.1 Hazard Codes
- C,Xn
- 3.1 Risk Statements
- 23-34-37-20/21/22-36/38
- 3.1 Safety Statements
- 26-36-45-36/37/39-36/37
- 3.1 RIDADR
- UN 1789
- 3.1 WGK Germany
- 1
- 3.1 RTECS
- ZH7700000
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Corrosive to metals, Category 1
Skin corrosion, Category 1B
Serious eye damage, Category 1
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Danger |
| Hazard statement(s) | H290 May be corrosive to metals H314 Causes severe skin burns and eye damage H318 Causes serious eye damage |
| Precautionary statement(s) | |
| Prevention | P234 Keep only in original packaging. 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 | P390 Absorb spillage to prevent material damage. 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 | P406 Store in a corrosion resistant/...container with a resistant inner liner. P405 Store locked up. |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Other Information
- 5.0 Merck
- 13,10237
- 5.1 Physical Properties
- The octahydrate is a white silky solid; tetragonal crystals consisting of tetramers; effloresces; refractive index 1.552; loses six water molecules at 150°C; becomes anhydrous at 210°C; decomposes at 400°C; soluble in water; aqueous solution acidic; also soluble in alcohol and ether; slightly soluble in hydrochloric acid.
- 5.2 Uses
- Zirconyl chloride is used to make pigment toners and improve properties of color lakes of acid and basic dyes. Also, it is used to prepare body deodorants and antiperspirant, water repellant, dye precipitant, catalysts, and many zirconium compounds.
- 5.3 Preparation
- The compound is prepared by dissolving zirconium tetrachloride, ZrCl4, or sodium zirconate, Na4ZrO4, in hydrochloric acid solution followed by evaporation to obtain crystals of octahydrate.
Also, the compound can be prepared by reacting zirconium tetrachloride with chlorine oxide:
ZrCl4 + Cl2O → ZrOCl2 + 2Cl2
- 5.4 Toxicity
- Moderately toxic by ingestion, intraperitoneal and subcutaneous routes.
LD50 (intraperitioneal) (rat): 400mg/kg
- 5.5 Chemical Properties
- Zirconium oxychloride exists as white silky crystals, soluble in water and alcohol. With water, the octahydrate is formed as tetragonal white needles. It is extremely hygroscopic and decomposes to zirconium tetrachloride (ZrCl4) and zirconium oxide (ZrO2) at 250 C. It is also formed as the octahydrate [13520-92-8] as white, tetrahedral crystals that are very soluble in water, ethyl alcohol, ether, and methanol, among others, but only slightly soluble in hydrochloric acid. When heated to decomposition, it emits toxic fumes of hydrogen chloride.
- 5.6 Uses
- Building block for a new series of mixed zirconium phosphonates which may have uses in catalysis, ion exchange or photophysics.
- 5.7 Uses
- Textile, cosmetic and grease additive, antiperspirant, water repellents, chemical reagent, zirconium salts, in lakes and toners of acidic and basic dyes, oil-field acidizing aid.
- 5.8 Reactivity Profile
- Acidic salts, such as Zirconium oxychloride, are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions.
- 5.9 Health Hazard
- Has only a mild pharmacological action. Inhalation of dust may irritate nose and throat. Contact with eyes or skin causes irritation.
- 5.10 Flammability and Explosibility
- Notclassified
- 5.11 Safety Profile
- Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of Cl-. Used as an antiperspirant. See also ZIRCONIUM COMPOUNDS and CHLORIDES.
- 5.12 Purification Methods
- Crystallise it repeatedly from 8M HCl to give ZrOCl2.8H2O (see below). On drying, ZrOCl2.6H2O, m 150o, is formed. The product is not free from hafnium. [Blumenthal J Chem Ed 39 607 1962.]
6. Computational chemical data
- Molecular Weight: 178.12g/mol
- Molecular Formula: Cl2OZr
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 177.852969
- Monoisotopic Mass: 177.852969
- Complexity: 6
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 17.1
- Heavy Atom Count: 4
- 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: AAADcQAAIAAGAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Recommended Suppliers
-
- Products:chemicals
- Tel:0311-18503114-031178503114
- Email:mandy@rilonchem.com
-
- Products:API,intermediate,hormone
- Tel:+86-21-56795779
- Email:sales@worldyachem.com
-
- Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
- Tel:86-592-8883942
- Email:sale@amitychem.com
-
- Products:o-Phthalaldehyde, Methoxyammonium chloride. DMSO, NMP,
- Tel:86-592-5360779
- Email:sales@luyunjiachem.com
-
- Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China.
- Tel:86-571-87758773
- Email:balas@utanpharma.com
8. Realated Product Infomation
-120YR
skype
