barium(2+) ion bis(nitrooxidane)

• ChemBase ID: 126032
• Molecular Formular: BaN2O6
• Molecular Mass: 261.3368
• Monoisotopic Mass: 261.88088273
• SMILES: [Ba+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[Ba+2]
• InChI: InChI=1S/Ba.2NO3/c;2*2-1(3)4/q+2;2*-1
• InChIKey: IWOUKMZUPDVPGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion bis(nitrooxidane); barium(2+) ion dinitrate
• IUPAC Traditional name: barium(2+) ion dinitronate; barium(2+) ion dinitrate
• Synonyms: Barium nitrate, Puratronic®; Barium nitrate, ACS; Barium dinitrate; Barium nitrate; Barium nitrate; 硝酸钡, Puratronic®; 硝酸钡, ACS; 硝酸钡

Database IDs

• CAS Number: 10022-31-8
• EC Number: 233-020-5
• MDL Number: MFCD00003442
• Merck Index: 14983
• PubChem SID: 24858508; 24853020; 162220374; 24852115
• PubChem CID: 24798
• Chemspider ID: 23184
• Wikipedia Title: Barium_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• Molar Refractivity: 8.3471 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 66.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 4.95 g/100 mL (0 °C) ; 10.5 g/100 mL (25 °C) ; 34.4 g/100 mL (100 °C) in water; Freely soluble in water. Slightly soluble in alcohol and acetone; insoluble in alcohol
• Apperance: Crystalline; solid; white crystals
• Melting Point: 592 °C (dec.)(lit.); 592 °C (decomp.); 592°C dec.
• Density: 3.24; 3.24 g/cm^3
• Refractive Index: 1.5659
• pH: 5.0-7.0 (25 °C, 50 mg/mL in H2O); 5.0-8.0 (25 °C, 5%); 5.0-8.0 (25 °C, 50 mg/mL in H2O); 5-7 (20 °C, 5%)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: CQ9625000
• European Hazard Symbols: Oxidising (O); X; Harmful (Xn)
• UN Number: 1446; UN1446
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 2; II
• Risk Statements: 8-20/22; R20/22
• Safety Statements: 17-28; 28; S2, S28
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  3
• LD50: 355 mg/kg (oral, rat)
• GHS Hazard statements: H272-H302-H332
• GHS Precautionary statements: P220; P221-P210-P220-P261-P304+P340-P501A
• Personal Protective Equipment: dust mask type N95 (US), 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; 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 1446 5.1/PG 2

Product Information

• Purity: ≥52% Ba basis; ≥99%; ≥99.0% (KT); 99%; 99.95% (metals basis); 99.999% (metals basis); 99.999% trace metals basis; 99+%
• Grade: ACS reagent; puriss.; puriss. p.a.; purum p.a.
• Impurities: ≤0.0005% heavy metals (as Pb); ≤0.001% ammonium (NH4); ≤0.001% heavy metals (as Pb); ≤0.01% insolubles; ≤0.2% substances not precipitated by H2SO4 (as SO4); ≤3% water
• Cation Traces: Ca: ≤0.05%; Ca: ≤100 mg/kg; Ca: ≤20 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤2 mg/kg; Fe: ≤2 ppm; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤5 ppm; K: ≤0.005%; K: ≤1000 mg/kg; K: ≤50 mg/kg; Mg: ≤20 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤0.005%; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: <5 ppm; Sr: ≤0.1%; Sr: ≤1000 mg/kg; Sr: ≤500 mg/kg; Sr: ≤5000 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤5 ppm; chloride (Cl-): ≤50 mg/kg
• Appearance: solid
• Linear Formula: Ba(NO3)2

DETAILS

Sigma Aldrich - 202754

Packaging
25, 100 g in poly bottle

Sigma Aldrich - 217581

Packaging
100, 500 g in poly bottle