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| CAS No.: | 7721-01-9 |
|---|---|
| Name: | Tantalum(V) chloride |
| Article Data: | 128 |
| Molecular Structure: | |
|
|
|
| Formula: | Cl5Ta |
| Molecular Weight: | 358.213 |
| Synonyms: | Pentachlorotantalum;Tantalum chloride; Tantalum pentachloride; Tantalum pentachloride (TaCl5);Tantalum(V) chloride |
| Density: | 3.68(27℃) |
| Melting Point: | 216℃ |
| Boiling Point: | 242℃ |
| Flash Point: | °C |
| Appearance: | white to pale yellow crystals |
| Hazard Symbols: |
 C
|
| Risk Codes: | R22;R34; |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−. |
| PSA: | 0.00000 |
| LogP: | 3.44750 |
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| Conditions | Yield |
|---|---|
| With tetrachloromethane; pyrographite heating Ta2O5 and powdered charcoal in Cl2 stream saturated with CCl4 at 650 °C for 4 h; | 94% |
| With CCl4; C heating Ta2O5 and powdered charcoal in Cl2 stream saturated with CCl4 at 650 °C for 4 h; | 94% |
| 1000 °C in H2S/CS2 stream, 300 °C 1 h in N2 stream, then reacting with Cl2; distn. and sublimation; |
| Conditions | Yield |
|---|---|
| 750 °C for 1 h in inert gas, molar ratio of K2TaF4:chloride = 1:2; | 90% |
| 700-1000 °C inert gas, molar ratio of K2TaF7:chloride = 1:2; |
| Conditions | Yield |
|---|---|
| 750 °C for 1 h in inert gas, molar ratio of K2TaF4:chloride = 1:2; | 90% |
| 700-1000 °C in inert gas, molar ratio of K2TaF7:chloride = 1:2; |
| Conditions | Yield |
|---|---|
| 240 °C; sublimation; | 90% |
| 240 °C; sublimation; | 90% |
| In neat (no solvent) at 240 °C;; |
| Conditions | Yield |
|---|---|
| 750 °C for 1 h in inert gas, molar ratio of K2TaF4:chloride = 1:2; | 90% |
| 700-1000 °C in inert gas, molar ratio of K2TaF7:chloride = 1:2; |
| Conditions | Yield |
|---|---|
| In neat (no solvent) glass tube (170-250°C); purifn. by sublimation in a stream of Cl2; | 87% |
| at 200 °C; | |
| Ta powder having particle size (0.1 mm from 170) to 250 °C in some hours in absence of air and moisture; sublimation; |
| Conditions | Yield |
|---|---|
| ambient temp.; | 60% |
| ambient temp.; | 60% |
| 230-240 °C in bomb tube; by sublimation; |
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| Conditions | Yield |
|---|---|
| 1000 °C in high vac.; | 21% |
| 1000 °C in high vac.; | 21% |
| 500-600 °C in evacuated tube; | |
| 500-600 °C in evacuated tube; |
| Conditions | Yield |
|---|---|
| In melt reaction at 600 °C;; |
| Conditions | Yield |
|---|---|
| 300 °C in Cl2 stream saturated with SCl2; | |
| 300 °C in Cl2 stream saturated with SCl2; |
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Chemistry
Molecular Structure of Tantalum chloride (CAS NO.7721-01-9):
EINECS: 231-755-6
IUPAC Name: Pentachlorotantalum
Molecular Formula: Cl5Ta
Molecular Weight: 358.212900 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 0
Canonical SMILES: Cl[Ta](Cl)(Cl)(Cl)Cl
InChI: InChI=1S/5ClH.Ta/h5*1H;/q;;;;;+5/p-5
InChIKey: OEIMLTQPLAGXMX-UHFFFAOYSA-I
Density: 3.68 g/mL at 25 °C(lit.)
Flash Point: 242 °C
Enthalpy of Vaporization: 16.15 kJ/mol
Boiling Point: 242 °C
Vapour Pressure: 33900 mmHg at 25 °C
Melting Point: 221 °C
Sensitive: Moisture
Production
Tantalum chloride is prepared by heating tantalum metal in chlorine, then purified by sublimation to give white needles. Samples are often contaminated with tantalum(V) oxychloride .
Toxicity Data With Reference
| 1. | orl-rat LD50:1900 mg/kg | AIHOAX Archives of Industrial Hygiene and Occupational Medicine. 1 (1950),637. | ||
| 2. | ipr-rat LD50:75 mg/kg | AIHOAX Archives of Industrial Hygiene and Occupational Medicine. 1 (1950),637. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of Tantalum chloride (CAS NO.7721-01-9):
Hazard Codes: C 
Risk Statements: 22-34
R22:Harmful if swallowed
R34:Causes burns
Safety Statements: 26-36/37/39-45S
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3260 8/PG 2
WGK Germany: 3
RTECS: WW5600000
HazardClass: 8
PackingGroup: III
F: 3-10-21
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−.
Specification
Tantalum chloride with cas registry number of 7721-01-9 is white to pale yellow crystals, also known as Tantalum pentachloride ; Tantalum chloride (TaCl5) ; Tantalumchlorideanhydrous . It is less soluble in cyclohexane and carbon tetrachloride than in the aromatic hydrocarbons. The solubility increases to a slightly for the following series: benzene< toluene< m-xylene< mesitylene, as reflected in the deepening of colour of the solutions from pale yellow to orange. Tantalum chloride is strongly electrophillic as a Friedel-Crafts type catalyst and can form adducts with a variety of ligands such as [TaCl5(OPCl3)]. It can product many chemicals in chloride displacement reactions, and ammonolysis and amide-forming reactions such as TaCl5 + 5LiOMe → Ta(OMe)4Cl + 4LiCl.