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CAS No.: | 10026-11-6 |
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Name: | Zirconium tetrachloride |
Article Data: | 165 |
Molecular Structure: | |
Formula: | ZrCl4 |
Molecular Weight: | 233.036 |
Synonyms: | Zirconiumchloride (ZrCl4) (8CI);Orgatix ZB 126;Tetrachlorozirconium;Zirconiumchloride;Zirconium chloride (Zr2Cl8);Zirconium tetrachloride;Zirconium(IV)chloride; |
EINECS: | 233-058-2 |
Density: | 2.8 g/cm3 |
Melting Point: | 437 °C |
Boiling Point: | 331 °C |
Solubility: | Soluble in water |
Appearance: | White fine powder |
Hazard Symbols: | C |
Risk Codes: | 14-22-34 |
Safety: | 26-36/37/39-45-8 |
Transport Information: | UN 2503 8/PG 3 |
PSA: | 0.00000 |
LogP: | 2.75800 |
Conditions | Yield |
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In neat (no solvent) byproducts: coal, SiCl4; half continuous process with vertical silica tube by passing of Cl2 from below and addition of ZrC from top; damping of overheating reaction by addition of ZrSiO4 or ZrSiO4/C; elimination of residue (coal with 4.3% Zr) in 24 h;; condensation in Ni-vessel at >80°C to separate SiCl4;; | 94.6% |
In neat (no solvent) byproducts: coal, SiCl4; half continuous process with vertical silica tube by passing of Cl2 from below and addition of ZrC from top; damping of overheating reaction by addition of ZrSiO4 or ZrSiO4/C; elimination of residue (coal with 4.3% Zr) in 24 h;; condensation in Ni-vessel at >80°C to separate SiCl4;; | 94.6% |
In neat (no solvent) formation starts at 250°C; main product at 300-400°C; end of chloration at red heat;; removal under exclusion of air, melting under CO2;; | >99 |
tetrachloro-2,2'-bipyridylzirconium
A
[2,2]bipyridinyl
B
zirconium(IV) chloride
Conditions | Yield |
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In neat (no solvent) heating under N2 above 400 °C; |
Conditions | Yield |
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With char coal In neat (no solvent) briquetting with a tenfold excess of char coal; heating the dry briquets at 600-650°C in stream of dry Cl2;; condensation of ZrCl4 in spherical condenser;; | |
chlorinating metallic Zr with dry chlorine at 453-693 K;; sublimation in a stream of dry hydrogen; elem. anal.;; | |
With pyrographite In neat (no solvent) calcinating of a mixture of Zr and C under Cl2;; |
Conditions | Yield |
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In neat (no solvent) heating of calcinated ZrO2 at 200-250°C with 5-6fold amount of SOCl2;; | |
In neat (no solvent) heating at 400°C;; | >99 |
In neat (no solvent) heating below 400°C and then increasing temp.;; |
Conditions | Yield |
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In neat (no solvent) byproducts: SiO2; reaction at 1300°C;; |
Conditions | Yield |
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In neat (no solvent) heating baddeleyite in a rotary furnace to 500-600°C, countercurrent of COCl2;; extraction by heating with lime;; |
Conditions | Yield |
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In neat (no solvent) heating;; | |
In neat (no solvent) heating at 400°C in a very slow stream of COCl2;; | |
In neat (no solvent) heating at 600-700°C;; sublimation in a stream of N2;; |
Conditions | Yield |
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In neat (no solvent) byproducts: H3BO3; on heating;; | |
In neat (no solvent) heating 2 hours in vac. at 200°C; back reaction at higher temperatures;; | |
In neat (no solvent) heating in an evacuated tube at 200°C;; | |
In neat (no solvent) heating 2 hours in vac. at 200°C; back reaction at higher temperatures;; |
Conditions | Yield |
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In neat (no solvent) heating at 300°C;; |
Conditions | Yield |
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In neat (no solvent) heating 2 hours in vac. at 250°C;; | |
In neat (no solvent) byproducts: Al2O3; heating of pur, at 1200°C calcinated ZrO2 with an excess of AlCl3 in vacuum at 250°C;; | |
In neat (no solvent) heating 2 hours in vac. at 250°C;; |
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Reported in EPA TSCA Inventory.
OSHA PEL: TWA 5 mg(Zr)/m3; STEL 10 mg(Zr)/m3; Not Classifiable as a Human Carcinogen
ACGIH TLV: TWA 5 mg(Zr)/m3; STEL 10 mg(Zr)/m3
DFG MAK: 1 mg(Zr)/m3
DOT Classification: 8; Label: Corrosive
The Zirconium chloride with CAS registry number of 10026-11-6 is also known as Zirconium tetrachloride. The IUPAC name is Tetrachlorozirconium. Its EINECS registry number is 233-058-2. In addition, the formula is ZrCl4 and the molecular weight is 233.02. This chemical is a white fine powder and soluble in water. As it is not stable at normal temperature and pressure, it should be sealed in ventilated and dry place without light. Furthermore, this chemical can be used as analytical reagent, organic synthesis catalyst, water repellent and tanning agent.
Physical properties about Zirconium chloride are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)Enthalpy of Vaporization: 16.15 kJ/mol; (4)Vapour Pressure: 33900 mmHg at 25°C; (5)Exact Mass: 231.777164; (6)MonoIsotopic Mass: 229.780115; (7)Heavy Atom Count: 5; (8)Complexity: 19.1; (9)Covalently-Bonded Unit Count: 1.
Preparation of Zirconium chloride: it can be prepared by the transformation of cobalt dioxide. These refractory oxides are first converted to the tetrachloride, which can be distilled at high temperatures. Reaction equation is as follows:
ZrO2 + 2 C + 2 Cl2 → ZrCl4 + 2 CO
When you are using this chemical, please be cautious about it. As a chemical, it is harmful if swallowed and it may cause burns. What's more, it reacts violently with water. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep container dry. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately
You can still convert the following datas into molecular structure:
1. Canonical SMILES: Cl[Zr](Cl)(Cl)Cl
2. InChI: InChI=1S/4ClH.Zr/h4*1H;/q;;;;+4/p-4
3. InChIKey: DUNKXUFBGCUVQW-UHFFFAOYSA-J
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 489mg/kg (489mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH | Journal de Pharmacologie. Vol. 14, Pg. 437, 1983. |
rat | LD50 | oral | 1688mg/kg (1688mg/kg) | Hygiene and Sanitation Vol. 31(7-9), Pg. 328, 1966. |