-
Name
ZIRCONIUM SILICATE
- EINECS 239-019-6
- CAS No. 14940-68-2
- Density 4.56 g/cm3
- Solubility
- Melting Point 2550oC
- Formula H4O4Si.Zr
- Boiling Point
- Molecular Weight 187.31
- Flash Point
- Transport Information
- Appearance nanopowder
- Safety 26-36
- Risk Codes 20-36/37/38
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms zirconium(4+) orthosilicate;Zircosil 15;Zircosil 5;Zircon(8CI);A-DAX;A-PAX 45M;Standard SF 200;Ultrox 500W;Zircobit MO;ZirconFlour;
- PSA 126.38000
- LogP -1.47440
Zirconite Consensus Reports
Reported in EPA TSCA Inventory.
Zirconite Standards and Recommendations
OSHA PEL: TWA 5 mg(Zr)/m3; STEL 10 mg(Zr)/m3
ACGIH TLV: TWA 5 mg(Zr)/m3; STEL 10 mg(Zr)/m3; Not Classifiable as a Human Carcinogen
DFG MAK: 1 mg(Zr)/m3
Zirconite Specification
The Zirconium(IV) silicate (1:1) with CAS registry number of 14940-68-2 is also known as Zirconium(4+) orthosilicate. The IUPAC name is Zirconium(4+) silicate. Its EINECS registry number is 239-019-6. In addition, the formula is H4O4Si.Zr and the molecular weight is 187.31.
Physical properties about Zirconium(IV) silicate (1:1) are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1.84; (6)ACD/BCF (pH 7.4): 1.84; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 80.92Å2.
You can still convert the following datas into molecular structure:
1. SMILES: [Zr+4].[O-][Si]([O-])([O-])[O-]
2. InChI: InChI=1/O4Si.Zr/c1-5(2,3)4;/q-4;+4
3. InChIKey: GFQYVLUOOAAOGM-UHFFFAOYAW
4. Std. InChI: InChI=1S/O4Si.Zr/c1-5(2,3)4;/q-4;+4
5. Std. InChIKey: GFQYVLUOOAAOGM-UHFFFAOYSA-N
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