bis(propan-2-yloxy)barium

• ChemBase ID: 139862
• Molecular Formular: C6H14BaO2
• Molecular Mass: 255.50116
• Monoisotopic Mass: 256.00462669
• SMILES: CC(C)O[Ba]OC(C)C
• Canonical SMILES: CC(O[Ba]OC(C)C)C
• InChI: InChI=1S/2C3H7O.Ba/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
• InChIKey: CPUJSIVIXCTVEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(propan-2-yloxy)barium
• IUPAC Traditional name: diisopropoxybarium
• Synonyms: Barium isopropoxide; 异丙氧基钡

Database IDs

• CAS Number: 24363-37-9
• MDL Number: MFCD00050486
• PubChem SID: 24868500; 24860614; 162234110
• PubChem CID: 4456486

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6946
• LogD (pH = 7.4): 1.6946
• Log P: 1.6946
• Molar Refractivity: 32.4286 cm^3
• Polarizability: 18.593346 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder; solid
• Melting Point: 200 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 3205
• German water hazard class: 1
• Hazard Class: 4.2
• Packing Group: 3
• Risk Statements: 20/22
• Safety Statements: 28
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H252-H302-H332
• GHS Precautionary statements: P235 + P410
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3205 4.2/PG 3

Product Information

• Purity: 99.9% trace metals basis
• Grade: technical grade
• Linear Formula: Ba(OCH(CH3)2)2

DETAILS

Sigma Aldrich - 449679

Packaging
2, 10 g in glass bottle
Application
For preparation of bimetallic Ba-Nb and Ba-Zr alkoxides.1 Asymmetric aldol reactions are promoted by a novel catalyst prepared from Ba(O-i-Pr)2.2

Sigma Aldrich - 339148

Packaging
5 g in glass bottle