boron(3+) ion phosphate

• ChemBase ID: 139072
• Molecular Formular: BH3O4P
• Molecular Mass: 108.806181
• Monoisotopic Mass: 108.98620061
• SMILES: [BH3+3].[O-]P(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[BH3+3]
• InChI: InChI=1S/B.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3
• InChIKey: YZYDPPZYDIRSJT-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: boron(3+) ion phosphate
• IUPAC Traditional name: boron(3+) ion phosphate
• Synonyms: B(PO4); Boron orthophosphate; Boron phosphate; 磷酸硼

Database IDs

• CAS Number: 13308-51-5
• EC Number: 236-337-7
• MDL Number: MFCD00011318
• PubChem SID: 24855497

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: >1400°C
• Density: 2.52 g/mL at 25 °C(lit.); 2.81

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.995%
• Empirical Formula (Hill Notation): BO4P