1,2-dimethoxyethane; trichloroniobium

• ChemBase ID: 145678
• Molecular Formular: C4H10Cl3NbO2
• Molecular Mass: 289.38638
• Monoisotopic Mass: 287.8810156
• SMILES: COCCOC.Cl[Nb](Cl)Cl
• Canonical SMILES: Cl[Nb](Cl)Cl.COCCOC
• InChI: InChI=1S/C4H10O2.3ClH.Nb/c1-5-3-4-6-2;;;;/h3-4H2,1-2H3;3*1H;/q;;;;+3/p-3
• InChIKey: SBSZUBUHOUKQMN-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethoxyethane; trichloroniobium
• IUPAC Traditional name: 1,2-dimethoxyethane; trichloroniobium
• Synonyms: Niobium trichloride 1,2-dimethoxyethane complex; Trichloro(1,2-dimethoxyethane)niobium; Niobium(III) chloride 1,2-dimethoxyethane complex; 1,2-二甲氧基乙烷氯化铌(III)络合物

Database IDs

• CAS Number: 110615-13-9
• MDL Number: MFCD00013404
• PubChem SID: 24859581; 162239882
• PubChem CID: 6096194

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.077573925
• LogD (pH = 7.4): 0.077573925
• Log P: 0.077573925
• Molar Refractivity: 24.056 cm^3
• Polarizability: 9.497826 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 230 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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 3261 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: NbCl3 · CH3OCH2CH2OCH3

DETAILS

Sigma Aldrich - 326356

Packaging
5 g in glass bottle