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7721-01-9

Basic Information
CAS No.: 7721-01-9
Name: Tantalum(V) chloride
Article Data: 128
Molecular Structure:
Molecular Structure of 7721-01-9 (Tantalum(V) chloride)
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
Synthetic route

tantalum(V) oxide

7782-50-5

chlorine

7721-01-9

tantalum pentachloride

Conditions
ConditionsYield
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;

potassium heptafluorotantalate

lithium chloride

7721-01-9

tantalum pentachloride

Conditions
ConditionsYield
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;

potassium heptafluorotantalate

calcium chloride

7721-01-9

tantalum pentachloride

Conditions
ConditionsYield
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;
7446-70-0

aluminium trichloride

potassium heptafluorotantalate

7721-01-9

tantalum pentachloride

Conditions
ConditionsYield
240 °C; sublimation;90%
240 °C; sublimation;90%
In neat (no solvent) at 240 °C;;

potassium heptafluorotantalate

7786-30-3

magnesium chloride

7721-01-9

tantalum pentachloride

Conditions
ConditionsYield
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;

tantalum

7782-50-5

chlorine

7721-01-9

tantalum pentachloride

Conditions
ConditionsYield
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;

tantalum(V) oxide

7719-09-7

thionyl chloride

7721-01-9

tantalum pentachloride

Conditions
ConditionsYield
ambient temp.;60%
ambient temp.;60%
230-240 °C in bomb tube; by sublimation;
13569-72-7

tantalum tetrachloride

7721-01-9

tantalum pentachloride

Conditions
ConditionsYield
1000 °C in high vac.;21%
1000 °C in high vac.;21%
500-600 °C in evacuated tube;
500-600 °C in evacuated tube;

tantalum

silver(I) chloride

7721-01-9

tantalum pentachloride

Conditions
ConditionsYield
In melt reaction at 600 °C;;

tantalum(V) oxide

10545-99-0

sulfur dichloride

7782-50-5

chlorine

7721-01-9

tantalum pentachloride

Conditions
ConditionsYield
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 Corrosive
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.