Structure

Zirconium oxide dichloride

CAS
7699-43-6
Catalog Number
ACM7699436
Category
Metal & Ceramic Materials
Molecular Weight
180.14g/mol
Molecular Formula
ZrOCl2;Cl2H₂OZr

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Specification

Description
Zirconium oxychloride appears as white or yellow silky odorless crystals.;Liquid; PelletsLargeCrystals
IUPAC Name
oxozirconium;dihydrochloride
Canonical SMILES
O=[Zr].Cl.Cl
InChI
InChI=1S/2ClH.O.Zr/h2*1H;;
InChI Key
CMOAHYOGLLEOGO-UHFFFAOYSA-N
Melting Point
250 °C (decomposes)
Density
greater than 1 at 68 °F (USCG, 1999);1.91
Solubility
Soluble in water;Insoluble in ethanol;Soluble in methanol. Insoluble in organic solvents; aqueous solutions are acidic
Color/Form
White, silky crystals;White solid;Crystals or white solid
Complexity
6
Covalently-Bonded Unit Count
3
Decomposition
When heated to decomposition it emits toxic fumes of /hydrogen chloride/.;Decomp in hot water
EC Number
231-717-9
Exact Mass
177.852969g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
2
Heavy Atom Count
4
Monoisotopic Mass
177.852969g/mol
NSC Number
115914
Other Experimental
Density: 44 lb/cu ft;Tetragonal crystals from water; crystals contain tetramers of the form (Zr4(OH)8(H₂O)16)8+; density: 1.91; freely soluble in water, alcohol; the pH is equal to that of HCl of the same molarity /Zirconium oxychloride octahydrate/;Loses 6 water at 140 °C, 8 water at 210 °C;Readily effloresces, and hydrates with 5-7 H₂O are common; salt cannot be dried to the anhydrous form; decomposes to ZrCl4 and ZrO2 at 250 °C;Tetrahedron crystals. MP: 400 °C. Density: 1.91 g/cu cm. Very soluble in water, ethanol. /Zirconium oxychloride octahydrate/
Rotatable Bond Count
0
RTECS Number
ZH7700000
UN Number
1759
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