niobium(5+) ion pentachloride

• ChemBase ID: 302826
• Molecular Formular: Cl5Nb
• Molecular Mass: 270.17138
• Monoisotopic Mass: 267.7506414
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Nb+5]
• Canonical SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Nb+5]
• InChI: InChI=1S/5ClH.Nb/h5*1H;/q;;;;;+5/p-5
• InChIKey: YHBDIEWMOMLKOO-UHFFFAOYSA-I

NAMES AND DATABASE IDS

Names

• IUPAC name: niobium(5+) ion pentachloride
• IUPAC Traditional name: niobium(5+) ion pentachloride
• Synonyms: Niobium(V) chloride, Puratronic®; Niobium pentachloride; Niobium(V) chloride; 氯化铌(V), Puratronic®; 氯化铌(V)

Database IDs

• CAS Number: 10026-12-7
• EC Number: 233-059-8
• MDL Number: MFCD00011127
• Merck Index: 146557

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 alcohol, HCl, and Carbon tetrachloride
• Apperance: -100 Mesh Powder, Packaged under argon; 15mm & Down Lumps, Packaged under argon; Crystalline, Packaged under argon; Powder, Packaged under argon; Resublimed Crystals, Ampouled under argon
• Melting Point: 208.3°C
• Boiling Point: 248.2°C
• Density: 2.74

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: QU0350000
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H314-H318-H302
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 99% (metals basis); 99.9% (metals basis); 99.95% (metals basis); 99.9985% (metals basis); 99.999% (metals basis)

REFERENCES

• Lewis acid catalyst, useful in the allylation aldehydes amd imines with Allyltri-n-butyltin, L14087: Synthesis, 928 (2002).