barium(2+) ion trihydrate diperchlorate

• ChemBase ID: 158798
• Molecular Formular: BaCl2H6O11
• Molecular Mass: 390.27404
• Monoisotopic Mass: 389.83396337
• SMILES: O.O.O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Ba+2]
• Canonical SMILES: [O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.O.O.O.[Ba+2]
• InChI: InChI=1S/Ba.2ClHO4.3H2O/c;2*2-1(3,4)5;;;/h;2*(H,2,3,4,5);3*1H2/q+2;;;;;/p-2
• InChIKey: NBHDMFAHVJWOHD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion trihydrate diperchlorate
• IUPAC Traditional name: barium(2+) ion trihydrate diperchlorate
• Synonyms: Barium perchlorate trihydrate; Barium perchlorate trihydrate, Reagent Grade; 三水合高氯酸钡; 高氯酸钡 三水合物; 三水合高氯酸钡, 试剂级

Database IDs

• CAS Number: 10294-39-0
• EC Number: 236-710-4
• MDL Number: MFCD00149148
• Merck Index: 14987
• PubChem SID: 162252933
• PubChem CID: 53249218

CALCULATED PROPERTIES

• Acid pKa: -6.8919964
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4740524
• LogD (pH = 7.4): -2.4740524
• Log P: -0.097653694
• Molar Refractivity: 11.9079 cm^3
• Polarizability: 5.355259 Å^3
• Polar Surface Area: 74.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water, methanol. Slightly soluble in ethanol, ethyl acetate, acetone. Insoluble in ether
• Apperance: Crystalline
• Density: 2.74
• Refractive Index: 1.533

Safety Information

• European Hazard Symbols: Oxidising (O); X; Harmful (Xn)
• UN Number: 1447; UN1447
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 2; II
• Risk Statements: 9-20/22
• Safety Statements: 27
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H271-H301-H331; H271-H302-H332
• GHS Precautionary statements: P220; P221-P283-P210-P301+P310-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, 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 1447 5.1/PG 2

Product Information

• Purity: ≥98.0%; 99+%
• Grade: JIS special grade
• Linear Formula: Ba(ClO4)2 · 3H2O