barium(2+) ion hydrogen phosphate

• ChemBase ID: 150599
• Molecular Formular: BaHO4P
• Molecular Mass: 233.306301
• Monoisotopic Mass: 233.86649214
• SMILES: OP(=O)([O-])[O-].[Ba+2]
• Canonical SMILES: [O-]P(=O)(O)[O-].[Ba+2]
• InChI: InChI=1S/Ba.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2
• InChIKey: LYSTYSFIGYAXTG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion hydrogen phosphate
• IUPAC Traditional name: barium(2+) ion hydrogen phosphate
• Synonyms: Barium hydrogenphosphate; Barium phosphate dibasic; Barium phosphate, dibasic; Barium hydrogen phosphate; 磷酸氢钡; 磷酸钡 二元; 磷酸氢钡

Database IDs

• CAS Number: 10048-98-3
• EC Number: 233-159-1
• MDL Number: MFCD00003451
• Merck Index: 14990
• PubChem SID: 24858519; 162244760
• PubChem CID: 6096957

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 12.4085 cm^3
• Polarizability: 5.685633 Å^3
• Polar Surface Area: 83.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 410°C dec.
• Density: 4.1^1^6

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

• Purity: 97%
• Linear Formula: BaHPO4

DETAILS

Sigma Aldrich - 311391

Packaging
50 g in glass bottle
Application
Reactant involved in hydrothermal synthesis of α-Ba2P2O71Reactant involved in synthesis of modified carbon paste electrode for determination of cadmium and lead via differential pulse anodic stripping voltammetry2Involved in studies of the temperature dependence of soft mode frequency, dielectric constant and loss tangent of crystals in an electric field3Reagent used to asses glucose-specific poly(allylamine) hydrogels4