barium(2+) ion dialumanoylolate

• ChemBase ID: 138374
• Molecular Formular: Al2BaH2O4
• Molecular Mass: 257.303556
• Monoisotopic Mass: 257.8636328
• SMILES: [O-][AlH]=O.[O-][AlH]=O.[Ba+2]
• Canonical SMILES: [O-][AlH]=O.[O-][AlH]=O.[Ba+2]
• InChI: InChI=1S/2Al.Ba.4O/q;;+2;;;2*-1
• InChIKey: QKYBEKAEVQPNIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion dialumanoylolate
• IUPAC Traditional name: barium(2+) ion dialumanoylolate
• Synonyms: Barium aluminate; Barium aluminum oxide, tech.; Barium aluminum oxide; Barium aluminate; 氧化铝钡, tech.; 氧化铝钡; 铝酸钡

Database IDs

• CAS Number: 12004-04-5
• EC Number: 234-445-9
• MDL Number: MFCD00049716
• PubChem SID: 162232630
• PubChem CID: 165927

CALCULATED PROPERTIES

• Acid pKa: 3.0
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5039775
• LogD (pH = 7.4): -1.698255
• Log P: 0.5624
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 3.6723542 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1564; UN1564
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 20/22
• Safety Statements: 28
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332
• GHS Precautionary statements: P261-P264-P304+P340-P301+P312-P312-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1564 6.1/PG 3

Product Information

• Linear Formula: BaAl2O4