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; |
tantalum tetrachloride
tantalum pentachloride
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; |
Conditions | Yield |
---|---|
In neat (no solvent) reaction on heating of Ta in a phosgene stream at higher temperatures;; | |
In neat (no solvent) reaction on heating of Ta in a phosgene stream at higher temperatures;; |
Conditions | Yield |
---|---|
In neat (no solvent) reaction by heating of the mixture in a sealed tube at 400 °C for a period of 8 hours;; | |
400 °C for 8 h; | |
In neat (no solvent) reaction by heating of the mixture in a sealed tube at 400 °C for a period of 8 hours;; | |
400 °C for 8 h; |
Conditions | Yield |
---|---|
In melt reaction at 600 °C;; |
Conditions | Yield |
---|---|
In melt |
Conditions | Yield |
---|---|
with dry HCl gas at 410 °C; | |
with dry HCl gas at 700 °C; | |
In neat (no solvent) reaction by passing of HCl over Ta at temperatures above 410 °C;; |
Conditions | Yield |
---|---|
In melt reaction at 600 °C;; |
Conditions | Yield |
---|---|
heating in evacuated tube; | |
In neat (no solvent) | |
heating in evacuated tube; |
Conditions | Yield |
---|---|
In melt reaction at 600 °C;; |
Conditions | Yield |
---|---|
673-873°C; | |
673-873°C; |
Conditions | Yield |
---|---|
In neat (no solvent) passing stream of COCl2 over Ta2O5 at 400 °C;; | |
400 °C; | |
400°C; | |
400 °C; | |
400°C; |
Conditions | Yield |
---|---|
boiling 4 h; | >99 |
boiling 4 h; | >99 |
Conditions | Yield |
---|---|
under atmospheric pressure, reflux; | |
under atmospheric pressure, reflux; |
aluminium trichloride
A
aluminum oxide
B
tantalum pentachloride
Conditions | Yield |
---|---|
250 °C with AlCl3 excess; | |
400 °C for 48 h at stoichiometric ratio; sublimation; | A n/a B >99 |
250 °C with AlCl3 excess; | |
400 °C for 48 h at stoichiometric ratio; sublimation; | A n/a B >99 |
Conditions | Yield |
---|---|
200°C; | |
300°C; | |
in closed tube at 200 °C in soln. or with streaming S2Cl2 vapor; |
Conditions | Yield |
---|---|
byproducts: Ta2O5, H2; 850-1100 °C; | |
byproducts: Ta2O5, H2; 850-1100 °C; |
Conditions | Yield |
---|---|
start temp. of react. 225°C;; | |
start temp. of react. 225°C;; | |
start temp. of react. 225°C;; |
Conditions | Yield |
---|---|
With chlorine; pyrographite redn.; >370°C; excess of C; Cl2 stream-speed < 50 ml/min; | |
With charcoal; Cl2 redn.; >370°C; excess of C; Cl2 stream-speed < 50 ml/min; |
tantalum pentachloride
Conditions | Yield |
---|---|
With chlorine; pyrographite redn.; >370°C; 5 mol excess of C; Cl2 stream-speed > 100 ml/min; | |
With charcoal; Cl2 redn.; >370°C; 5 mol excess of C; Cl2 stream-speed > 100 ml/min; |
tetrachloromethane
A
phosgene
B
1,1,2,2-tetrachloroethylene
C
carbon dioxide
D
chlorine
E
tantalum pentachloride
Conditions | Yield |
---|---|
In neat (no solvent) byproducts: O2; reaction at 540-700°C;; | |
In neat (no solvent) byproducts: O2; reaction at 540-700°C;; |
Conditions | Yield |
---|---|
300-400 °C; | |
215°C; | |
280-300 °C with liquid CCl4 in bomb tube; |
tantalum pentachloride
sodium 3,4-dimethylphenolate
(3,4-dimethylphenoxo)4TaCl(tetrahydrofuran)
Conditions | Yield |
---|---|
With tetrahydrofuran In tetrahydrofuran; benzene byproducts: NaCl; a clear solution of Na-3,4-dimethylphenole in THF was slowly added to a suspension of TaCl5 in C6H6; was refluxed for 6 h; stoichiometric ratio of TaCl5:Na-3,4-dimethylphenolate=1:4; was filtered; was concentrated under reduced pressure; elem. anal.; | 100% |
Conditions | Yield |
---|---|
In dichloromethane to a suspension of TaCl5 in CH2Cl2 was added 3,4-dimethylphenole; was stirred by refluxing for 4 h; stoichiometric ratio of TaCl5:3,4-dimethylphenole=1:1; excess of the solvent was removed under reduced pressure; elem. anal.; | 100% |
tantalum pentachloride
potassium 3,5-dimethylphenolate
Conditions | Yield |
---|---|
In tetrahydrofuran; benzene byproducts: KCl; refluxing of KOC6H3Me2 with TaCl5 (16 h), addn. to CuCl2 suspn. in THF, refluxing (16 h); filtration off of KCl, evapn. (60°C, 0.3 torr); elem. anal.; | 100% |
Conditions | Yield |
---|---|
In neat (no solvent) heating (HF atm., 200°C, 2 h); elem. anal.; | 100% |
2,6-diisopropylbenzenamine
tantalum pentachloride
Conditions | Yield |
---|---|
In dichloromethane inert atmosphere; stirring TaCl5 with excess amine (room temp., 10 h); solvent removal (vac.) drying (vac.); elem. anal.; | 100% |
Conditions | Yield |
---|---|
In toluene Inert atmosphere; Glovebox; | 100% |
tantalum pentachloride
Conditions | Yield |
---|---|
With CH3CH2CH2CH2Li In diethyl ether; hexane (N2); addn. of hexane soln. of butyllithium to ethereal soln. of phenol deriv. at -35°C. stirring at room temp. for 1 h, cooling to -35°C, addn. to suspn. of TaCl5 in ether, stirring at room temp. for 7d; filtraton through celite, evapn., elem. anal.; | 99.7% |
In not given (N2); reatment of tantalum compd. with phenol deriv.; |
Conditions | Yield |
---|---|
In acetonitrile N2; equimol., or 2, or 3 equiv. of Sn compd., stirred at -40°C for 5-30 min; NMR, chromy.; | 99% |
In tetrahydrofuran equimol., stirred at -40°C for 5-30 min; NMR, chromy.; | 16% |
Conditions | Yield |
---|---|
In methanol TaCl5 and H2O2 stirred in ice-water bath, KOH added, MeOH added, cooled to 5-8°C, MeOH added; filtered, washed with MeOH, dried in air for 45 min to 1 h; | 99% |
Conditions | Yield |
---|---|
With ZnCl2; pyridine In dichloromethane; toluene N2-atmosphere; addn. of 1 equiv. aniline and pyridine (in CH2Cl2) to mixt. of TaCl5 and DME with excess ZnCl2 (-40°C), stirring for 17 h; filtration, concn. (vac.), recrystn. (CH2Cl2/pentane); | 99% |
With pyridine; zinc(II) chloride Inert atmosphere; |
Conditions | Yield |
---|---|
In toluene (N2); reacting TaCl5 with zinc compd. in toluene at 0°C; | 99% |
N,N,N',N'-tetrakis(trimethylsilyl)-1,4-phenylenediamine
tantalum pentachloride
acetonitrile
[(Ta(CH3CN)2Cl3)2(μ-1,4-NC6H4N)]
Conditions | Yield |
---|---|
In dichloromethane; acetonitrile under Ar atm. to soln. TaCl5 in MeCN at room temp. dropwise over 45 min soln. N,N,N',N'-tetrakis(trimethylsilyl)phenylenediamine in CH2Cl2 (2:1)was added and stirred overnight at room temp.; solvent was removed in vacuo, residue was washed with hexane; elem. anal.; | 99% |
Conditions | Yield |
---|---|
In dichloromethane; acetonitrile under Ar atm. to soln. TaCl5 in MeCN at room temp. dropwise over 45 min soln. N,N,N',N'-tetrakis(trimethylsilyl)phenylenediamine in CH2Cl2 (2:1)was added and stirred overnight at room temp.; solvent was removed in vacuo, residue was washed with hexane; elem. anal.; | 99% |
Conditions | Yield |
---|---|
In diethyl ether; toluene N2-atmosphere; 3 equiv. amine, stirring for 4 h; evapn. (vac.), washing (pentane), drying (vac.); | 99% |
Conditions | Yield |
---|---|
In diethyl ether; toluene N2-atmosphere; 3 equiv. amine, stirring for 4 h; evapn. (vac.), washing (pentane), drying (vac.); elem. anal.; | 99% |
Conditions | Yield |
---|---|
In diethyl ether; toluene N2-atmosphere; 3 equiv. amine, stirring for 4 h; evapn. (vac.), washing (pentane), drying (vac.); elem. anal.; | 99% |
Conditions | Yield |
---|---|
In diethyl ether; toluene N2-atmosphere; 3 equiv. amine, stirring for 4 h; evapn. (vac.), washing (pentane), drying (vac.); | 99% |
Conditions | Yield |
---|---|
In water at 8℃; | 99% |
Conditions | Yield |
---|---|
In water at 8℃; | 99% |
Conditions | Yield |
---|---|
In benzene byproducts: HCl; to a suspension of TaCl5 in C6H6 was added 3,4-dimethylphenole; was refluxed for 18 h; stoichiometric ratio of the TaCl5:3,4-dimethylphenole=1:2; excess of the solvent was removed under reduced pressure; elem. anal.; | 98.8% |
tantalum pentachloride
Conditions | Yield |
---|---|
In dichloromethane byproducts: ClSn(CH2CH2(CF2)5CF3)3; equiv. amts., 1 h; extn. with perfluorohexanes, evapn. of CH2Cl2 phase (vac.); | 98.6% |
tantalum pentachloride
Conditions | Yield |
---|---|
With potassium chloride; magnesium In neat (no solvent) heating of solid TaCl2 with Mg pieces and KCl above 450°C; pptn. of the formed powder in the melt;; sepn. with H2O and HCl; contains 0.1-0.54 % Mg; exctraction with HCl; contains 0.05-0.15 % Mg;; | 98% |
With potassium chloride; magnesium In neat (no solvent) heating of solid TaCl2 with Mg pieces and KCl above 450°C; pptn. of the formed powder in the melt;; sepn. with H2O and HCl; contains 0.1-0.54 % Mg; exctraction with HCl; contains 0.05-0.15 % Mg;; | 98% |
With magnesium hydride In toluene byproducts: H2; (argon); grinding TaCl5 and MgH2 in a mill, addn. of toluene, heating toreflux temp. under further grinding (8.5 h); washing (toluene), trituration with EtOH, filtration, boiling with concd. HCl, filtration, washing (H2O; EtOH), drying; | 78.8% |
(CH3)3SiNC9H10
diethyl ether
tantalum pentachloride
Ta(tetrahydroquinolinyl)Cl4(OEt2)
Conditions | Yield |
---|---|
In diethyl ether; benzene N2-atmosphere; slow addn. of 1 equiv. ligand to TaCl5 (in C6H6/Et2O=7:1 v/v), stirring at room temp. for 20 h; removal of volatiles (reduced pressure), washing (cold pentane), drying (vac.); can be recrystallized (Et2O, -35°C); elem. anal.; | 97% |
tantalum pentachloride
trimethyl-2,4,6 phenate de potassium
Ta(OC6H2(CH3)3)4K(OC6H2(CH3)3)2(C4H8O)2
Conditions | Yield |
---|---|
In tetrahydrofuran; benzene byproducts: KCl; refluxing (16 h); elem. anal.; | 97% |
tantalum pentachloride
lithium 4-chlorophenolate
Ta(OC6H4Cl)4Li(OC6H4Cl)2(C4H8O)2
Conditions | Yield |
---|---|
In tetrahydrofuran; benzene byproducts: LiCl; refluxing (16 h); elem. anal.; | 97% |
tantalum pentachloride
potassium 3,4-dimethylphenolate
Ta(OC6H3(CH3)2)4K(OC6H3(CH3)2)2(C4H8O)2
Conditions | Yield |
---|---|
In tetrahydrofuran; benzene byproducts: KCl; room temp., color changes, refluxing (16 h); filtration (pptd. KCl), volatiles removal (reduced pressure); elem. anal.; | 97% |
tantalum pentachloride
potassium 3,5-dimethylphenolate
Ta(OC6H3(CH3)2)4K(OC6H3(CH3)2)2(C4H8O)2
Conditions | Yield |
---|---|
In tetrahydrofuran; benzene byproducts: KCl; refluxing (16 h); elem. anal.; | 97% |
tantalum pentachloride
sodium 3,5-dimethylphenolate
Ta(OC6H3(CH3)2)4Na(OC6H3(CH3)2)2(C4H8O)2
Conditions | Yield |
---|---|
In tetrahydrofuran; benzene byproducts: NaCl; refluxing (16 h); elem. anal.; | 97% |
tantalum pentachloride
sodium 4-chlorophenolate
Ta(OC6H4Cl)4Na(OC6H4Cl)2(C4H8O)2
Conditions | Yield |
---|---|
In tetrahydrofuran; benzene byproducts: NaCl; refluxing (16 h); elem. anal.; | 97% |
Conditions | Yield |
---|---|
Stage #1: tantalum pentachloride With 1-methyl-3,6-bis(trimethylsilyl)-1,4-cyclohexadiene In dichloromethane at 20℃; Stage #2: 2,2'-azopyridine In dichloromethane at 20℃; for 3h; | 97% |
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
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 .
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. |
Reported in EPA TSCA Inventory.
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−.
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.
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