bariumdiol hydrate

• ChemBase ID: 148585
• Molecular Formular: BaH4O3
• Molecular Mass: 189.35696
• Monoisotopic Mass: 189.92129099
• SMILES: O.O[Ba]O
• Canonical SMILES: O[Ba]O.O
• InChI: InChI=1S/Ba.3H2O/h;3*1H2/q+2;;;/p-2
• InChIKey: GKQTUHKAQKWLIN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bariumdiol hydrate
• IUPAC Traditional name: bariumdiol hydrate
• Synonyms: Barium hydroxide hydrate; Barium hydroxide monohydrate; 氢氧化钡 水合物; 氢氧化钡 一水合物

Database IDs

• CAS Number: 22326-55-2; 40226-30-0
• EC Number: 241-234-5
• MDL Number: MFCD00149151
• PubChem SID: 24847348; 24861060; 24868539; 162242760
• PubChem CID: 16211219

CALCULATED PROPERTIES

• Acid pKa: 16.468443
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2724
• LogD (pH = 7.4): -1.2724
• Log P: -1.2724
• Molar Refractivity: 5.1292 cm^3
• Polarizability: 8.04778 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystalline
• Melting Point: 78 °C(lit.)
• Density: 2.18 g/mL at 25 °C(lit.); 3.743 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3262
• German water hazard class: 1; 3
• Hazard Class: 8
• Packing Group: 2; 3
• Risk Statements: 20/22-34
• Safety Statements: 26-28-36/37/39-45; 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H302 + H332; H302 + H332-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 3262 8/PG 2; UN 3262 8/PG 3

Product Information

• Purity: ≥98.0% (T); 98%; 99.995% trace metals basis
• Grade: purum p.a.
• Compostion: Degree of hydration, ~8
• Cation Traces: Ca: ≤300 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤100 mg/kg; K: ≤100 mg/kg; Na: ≤200 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Sr: ≤2.0%; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg
• Linear Formula: Ba(OH)2 · H2O; Ba(OH)2 · xH2O

DETAILS

Sigma Aldrich - 450170

Packaging
5, 25 g in poly bottle

Sigma Aldrich - 342386

Packaging
25, 500 g in poly bottle