tantalum(5+) ion pentachloride

• ChemBase ID: 302764
• Molecular Formular: Cl5Ta
• Molecular Mass: 358.2129
• Monoisotopic Mass: 355.7922584
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ta+5]
• Canonical SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ta+5]
• InChI: InChI=1S/5ClH.Ta/h5*1H;/q;;;;;+5/p-5
• InChIKey: OEIMLTQPLAGXMX-UHFFFAOYSA-I

NAMES AND DATABASE IDS

Names

• IUPAC name: tantalum(5+) ion pentachloride
• IUPAC Traditional name: tantalum(5+) ion pentachloride
• Synonyms: Tantalum pentachloride; Tantalum(V) chloride; Tantalum(V) chloride, anhydrous, Puratronic®; Tantalum(V) chloride, Puratronic®; 五氯化钽(V); 无水五氯化钽(V), Puratronic®; 五氯化钽(V), Puratronic®

Database IDs

• CAS Number: 7721-01-9
• EC Number: 231-755-6
• MDL Number: MFCD00011253
• Merck Index: 149054

CALCULATED PROPERTIES

• Acid pKa: -7.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• Molar Refractivity: 5.6156 cm^3
• Polarizability: 2.1090326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Decomposes in water. Soluble in absolute alcohol and KOH
• Apperance: -60 Mesh Resublimed Powder, Ampouled under argon; Powder, Ampouled under argon; Resublimed Crystalline, Ampouled under argon
• Melting Point: 216°C
• Boiling Point: 242°C
• Density: 3.68

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: WW5600000
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 20/21/22-34; 22-34
• Safety Statements: 20-26-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Hazard statements: H311-H302-H332-H314-H318; H314-H318-H302
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P260-P303+P361+P353-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 99.8% (metals basis); 99.99% (metals basis); 99.995% (metals basis)

REFERENCES

• In combination with silica, is a useful acid catalyst for, e.g. acetylation of alcohols: Tetrahedron Lett., 39, 3263 (1998), tetrahydropyranylation of alcohols and dithioacetalization of aldehydes: Tetrahedron, 53, 14997 (1997).
• In the presence of Zn metal, low-valent Ta complexes are formed with alkynes which react with carbonyl compounds to form (E)-allylic alcohols: J. Org. Chem., 55, 1707 (1990); 57, 321 (1992). Similarly, regioselective additions to alkenes can also be effected: J. Org. Chem., 59, 5852 (1994). With allylic alcohols, 1,4-dienes are formed: Chem. Lett., 315 (1995).