oxo({[oxo(11B)boranyl]oxy})(11B)borane

• ChemBase ID: 146550
• Molecular Formular: B2H2O3
• Molecular Mass: 72.0326908
• Monoisotopic Mass: 72.01900472
• SMILES: [11BH](=O)O[11BH]=O
• Canonical SMILES: O=[11BH]O[11BH]=O
• InChI: InChI=1S/B2O3/c3-1-5-2-4/i1+0,2+0
• InChIKey: JKWMSGQKBLHBQQ-ZCWHFVSRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxo({[oxo(^1^1B)boranyl]oxy})(^1^1B)borane
• IUPAC Traditional name: oxo({[oxo(^1^1B)boranyl]oxy})(^1^1B)borane
• Synonyms: Boron-11B oxide; 氧化硼-11B

Database IDs

• CAS Number: 77704-22-4
• MDL Number: MFCD00198017
• PubChem SID: 162240744; 24866686
• PubChem CID: 16212771

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7684
• LogD (pH = 7.4): 1.7684
• Log P: 1.7684
• Molar Refractivity: 4.236 cm^3
• Polarizability: 5.1885743 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 450 °C(lit.)
• Density: 2.474 g/mL at 25 °C(lit.)
• Mass Shift: depleted

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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

• Isotopic Purity: 99 atom % 11B
• Linear Formula: 11B2O3

DETAILS

Sigma Aldrich - 426164

Packaging
1, 5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.