pentachloroniobium

• ChemBase ID: 147474
• Molecular Formular: Cl5Nb
• Molecular Mass: 270.17138
• Monoisotopic Mass: 267.7506414
• SMILES: Cl[Nb](Cl)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Nb](Cl)(Cl)(Cl)Cl
• InChI: InChI=1S/5ClH.Nb/h5*1H;/q;;;;;+5/p-5
• InChIKey: YHBDIEWMOMLKOO-UHFFFAOYSA-I

NAMES AND DATABASE IDS

Names

• IUPAC name: pentachloroniobium
• IUPAC Traditional name: niobium pentachloride
• Synonyms: Niobium pentachloride; Niobium(V) chloride; 五氯化铌; 氯化铌(V)

Database IDs

• CAS Number: 10026-12-7
• EC Number: 233-059-8
• MDL Number: MFCD00011127
• PubChem SID: 24860399; 24873526; 24852915; 162241662
• PubChem CID: 24818

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: 16.123596 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystals and lumps; powder
• Melting Point: 204.7 °C(lit.)
• Boiling Point: 254 °C(lit.)
• Density: 2.75 g/mL at 25 °C(lit.)

Safety Information

• RTECS: QU0350000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H332
• 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% trace metals basis; 99%; 99.995% trace metals basis
• Grade: anhydrous; puriss.
• Linear Formula: NbCl5

DETAILS

Sigma Aldrich - 510696

Packaging
5, 25 g in ampule
Application
Used to form mixed chloro-aryloxide compounds, such as [Nb(OC6H3-2,6-i-Pr2)2Cl3]2, which form pyridine or phosphine adducts with a distorted six-coordinate geometry.†

Sigma Aldrich - 215791

Packaging
10, 50 g in glass bottle
Application
Used to form mixed chloro-aryloxide compounds, such as [Nb(OC6H3-2,6-i-Pr2)2Cl3]2, which form pyridine or phosphine adducts with a distorted six-coordinate geometry.†

Sigma Aldrich - 336602

Packaging
10, 50 g in glass bottle
Application
Used to form mixed chloro-aryloxide compounds, such as [Nb(OC6H3-2,6-i-Pr2)2Cl3]2, which form pyridine or phosphine adducts with a distorted six-coordinate geometry.†

Sigma Aldrich - 10439

Application
Used to form mixed chloro-aryloxide compounds, such as [Nb(OC6H3-2,6-i-Pr2)2Cl3]2, which form pyridine or phosphine adducts with a distorted six-coordinate geometry.†