bicyclo[1.1.1]diboroxane

• ChemBase ID: 295218
• Molecular Formular: B2O3
• Molecular Mass: 69.6202
• Monoisotopic Mass: 70.00335466
• SMILES: B12OB(O1)O2
• Canonical SMILES: O1B2OB1O2
• InChI: InChI=1S/B2O3/c3-1-4-2(3)5-1
• InChIKey: RPPTVYMVSNHGRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[1.1.1]diboroxane
• IUPAC Traditional name: bicyclo[1.1.1]diboroxane
• Synonyms: Boric anhydride; Boron oxide; Boron oxide, Puratronic®; Boron oxide, Puratronic®, (H2O 200ppm); 氧化硼; Boron oxide, Puratronic?, (H2O 200ppm); 氧化硼, Puratronic®; 氧化硼, Puratronic®, (H2O 200ppm)

Database IDs

• CAS Number: 1303-86-2
• EC Number: 215-125-8
• MDL Number: MFCD00011315
• Merck Index: 141337
• PubChem SID: 180680749
• PubChem CID: 11073337

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0136
• LogD (pH = 7.4): 3.0136
• Log P: 3.0136
• Molar Refractivity: 4.0506 cm^3
• Polarizability: 5.4224143 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Slightly soluble in water @ 25 C. Soluble in water @ 100 C
• Apperance: -60 Mesh; Cylinder, 3.7cm dia, 32g/cylinder; Cylinder, 5.0cm dia, 55g/cylinder; Fused Lump, Approx. 1.0in dia x 0.75in thick; Powder
• Melting Point: ca 450°C
• Boiling Point: 1860°C
• Density: 2.46; 2.46 ^+ 0.01

Safety Information

• Storage Warning: Hygroscopic
• RTECS: ED7900000
• European Hazard Symbols: Toxic (T)
• Risk Statements: 60-61
• Safety Statements: 53-45
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Hazard statements: H360
• GHS Precautionary statements: P201-P308+P313

Product Information

• Purity: 97.5% min, typically 98.5%; 99%; 99.98% (metals basis); 99.999% (metals basis); 99.999% (metals basis)