bismuth(3+) ion 2-oxidobenzoate hydroxide

• ChemBase ID: 303503
• Molecular Formular: C7H5BiO4
• Molecular Mass: 362.0926
• Monoisotopic Mass: 361.99918164
• SMILES: c1ccc(c(c1)C(=O)[O-])[O-].[OH-].[Bi+3]
• Canonical SMILES: [O-]C(=O)c1ccccc1[O-].[OH-].[Bi+3]
• InChI: InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3
• InChIKey: ZREIPSZUJIFJNP-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bismuth(3+) ion 2-oxidobenzoate hydroxide
• IUPAC Traditional name: bismuth(3+) ion 2-oxidobenzoate hydroxide
• Synonyms: Bismuth salicylate, basic; Salicylic acid bismuth basic salt; Bismuth subsalicylate; Bismuth Subsalicylate; 碱式水杨酸铋

Database IDs

• CAS Number: 14882-18-9
• EC Number: 238-953-1
• MDL Number: MFCD00085368
• Merck Index: 141285

CALCULATED PROPERTIES

• Acid pKa: 2.7897391
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6725287
• LogD (pH = 7.4): -1.5175761
• Log P: 1.9772635
• Molar Refractivity: 56.6825 cm^3
• Polarizability: 12.946271 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Practically insoluble in water, alcohol
• Apperance: Powder, typically 2 micron max

Safety Information

• RTECS: EB2985000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Pharmacology Properties

• Target: Others

Product Information

• Purity: 96%
• Salt Data: Free Base