bis(tert-butoxy)barium

• ChemBase ID: 143058
• Molecular Formular: C8H18BaO2
• Molecular Mass: 283.55432
• Monoisotopic Mass: 284.03592682
• SMILES: CC(C)(C)O[Ba]OC(C)(C)C
• Canonical SMILES: CC(O[Ba]OC(C)(C)C)(C)C
• InChI: InChI=1S/2C4H9O.Ba/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2
• InChIKey: SLPLCLDJTNLWPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(tert-butoxy)barium
• IUPAC Traditional name: bis(tert-butoxy)barium
• Synonyms: Barium di-t-butoxide; Barium tert-butoxide; 二叔丁醇钡; 叔丁醇钡

Database IDs

• CAS Number: 24363-36-8
• MDL Number: MFCD00082644
• PubChem SID: 162237281
• PubChem CID: 71310859

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.851
• LogD (pH = 7.4): 1.851
• Log P: 1.851
• Molar Refractivity: 41.705 cm^3
• Polarizability: 22.172577 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >200 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3206
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 2
• Risk Statements: 11-14-34-37
• Safety Statements: 7/8-26-28-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 3206 4.2/PG 2
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Purity: 85%
• Empirical Formula (Hill Notation): C8H18BaO2

DETAILS

Sigma Aldrich - 715468

Packaging
1, 10 g in glass bottle