oxoborinic acid

• ChemBase ID: 128780
• Molecular Formular: BH2O2
• Molecular Mass: 44.82568
• Monoisotopic Mass: 45.0147847
• SMILES: O[BH]=O
• Canonical SMILES: O[BH]=O
• InChI: InChI=1S/BHO2/c2-1-3/h2H
• InChIKey: VGTPKLINSHNZRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxoborinic acid
• IUPAC Traditional name: oxoborinic acid
• Synonyms: Metaboric acid; Oxoborinic acid; Metaboric acid; 偏硼酸

Database IDs

• CAS Number: 13460-50-9
• EC Number: 236-659-8
• MDL Number: MFCD00192264
• PubChem SID: 162223084; 24865866
• PubChem CID: 24492
• CHEBI ID: 30172
• Chemspider ID: 22900
• Gmelin ID: 121829
• Wikipedia Title: Oxoborinic_acid

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2124
• LogD (pH = 7.4): 0.2124
• Log P: 0.2124
• Molar Refractivity: 4.0075 cm^3
• Polarizability: 3.1155381 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Vivid white, opaque crystals
• Density: 2.49 g cm^-3; 2.49 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R36/37/38
• Safety Statements: 26-36; S26, S37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Linear Formula: HBO2

DETAILS

Sigma Aldrich - 413453

Packaging
50 g in glass bottle