pentachlorotantalum

• ChemBase ID: 129704
• Molecular Formular: Cl5Ta
• Molecular Mass: 358.2129
• Monoisotopic Mass: 355.7922584
• SMILES: Cl[Ta](Cl)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Ta](Cl)(Cl)(Cl)Cl
• InChI: InChI=1S/5ClH.Ta/h5*1H;/q;;;;;+5/p-5
• InChIKey: OEIMLTQPLAGXMX-UHFFFAOYSA-I

NAMES AND DATABASE IDS

Names

• IUPAC name: pentachlorotantalum
• IUPAC Traditional name: tantalum pentachloride
• Synonyms: Tantalum(V) chloride; Tantalum pentachloride; Tantalum(V) chloride; 五氯化钽; 氯化钽(V)

Database IDs

• CAS Number: 7721-01-9
• EC Number: 231-755-6
• MDL Number: MFCD00011253
• PubChem SID: 24853075; 24873525; 162223993; 24864923
• PubChem CID: 24394
• Wikipedia Title: Tantalum(V)_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1725
• LogD (pH = 7.4): 3.1725
• Log P: 3.1725
• Molar Refractivity: 30.6815 cm^3
• Polarizability: 18.887579 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: ethanol: slightly soluble; reacts in water; soluble in ethanol, ether, CCl₄
• Apperance: powder; white monoclinic crystals
• Melting Point: 216°C; 217 °C(lit.)
• Boiling Point: 239.4°C (decompose)
• Flash Point: Non-flammable
• Density: 3.68 g/cm^3; 3.68 g/mL at 25 °C(lit.)
• Std enthalpy of formation: -858.98 kJ/mol
• Std molar entropy: 221.75 J K^-1 mol^-1

Safety Information

• RTECS: WW5600000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• EU Index: Not listed
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• LD50: 1900 mg/kg (oral, rat)
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3260 8/PG 2

Product Information

• Purity: ≥99.9%; 99.8% trace metals basis; 99.99% trace metals basis; 99.999% trace metals basis
• Grade: anhydrous; puriss.
• Linear Formula: TaCl5

DETAILS

Sigma Aldrich - 400475

Packaging
5, 25 g in poly bottle
Preparation Note
Used in the preparation of a simple catalyst for the polycyclotrimerizations of alkenediynes.3 Used for the plasma-enhanced atomic layer deposition of tantalum nitride films.4
Application
Used to form mixed chloro-aryloxide compounds, such as [Ta(OC6H3-2,6-i-Pr2)2Cl3]2, which form pyridine or phosphine adducts with a distortedsix-coordinate geometry.1 Also used as a starting material for new edge-bridged octahedral M6 cluster compounds such as CsErTa6Cl18, for which electron and stability studies were performed.2,2

Sigma Aldrich - 510688

Packaging
5, 25 g in ampule
Application
Used to form mixed chloro-aryloxide compounds, such as [Ta(OC6H3-2,6-i-Pr2)2Cl3]2, which form pyridine or phosphine adducts with a distortedsix-coordinate geometry.1 Also used as a starting material for new edge-bridged octahedral M6 cluster compounds such as CsErTa6Cl18, for which electron and stability studies were performed.2

Sigma Aldrich - 218634

Packaging
5, 25, 100 g in glass bottle
Application
Used to form mixed chloro-aryloxide compounds, such as [Ta(OC6H3-2,6-i-Pr2)2Cl3]2, which form pyridine or phosphine adducts with a distorted six-coordinate geometry.1 Also used as a starting material for new edge-bridged octahedral M6 cluster compounds such as CsErTa6Cl18, for which electron and stability studies were performed.2