9-borabicyclo[3.3.1]nonane

• ChemBase ID: 125553
• Molecular Formular: C8H15B
• Molecular Mass: 122.0157
• Monoisotopic Mass: 122.12668088
• SMILES: B1C2CCCC1CCC2
• Canonical SMILES: C1CC2CCCC(C1)B2
• InChI: InChI=1S/C8H15B/c1-3-7-5-2-6-8(4-1)9-7/h7-9H,1-6H2
• InChIKey: FEJUGLKDZJDVFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-borabicyclo[3.3.1]nonane
• IUPAC Traditional name: 9-borabicyclo(3.3.1)nonane
• Synonyms: Borabicyclononane; 9-Borabicyclo(3.3.1)nonane; 9-Borabicyclo[3.3.1]nonane monomer; 9-BBN monomer, 97%, 0.5M in THF; 9-BBN 单体, 0.5M THF溶液

Database IDs

• CAS Number: 280-64-8
• EC Number: 206-000-9
• MDL Number: MFCD00074742
• Beilstein Number: 605509
• PubChem SID: 162219903
• PubChem CID: 6327450; 24855264
• Chemspider ID: 71299
• Wikipedia Title: 9-Borabicyclo(3.3.1)nonane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9934
• LogD (pH = 7.4): 2.9934
• Log P: 2.9934
• Molar Refractivity: 35.1034 cm^3
• Polarizability: 16.056469 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Melting Point: 153 - 155°C
• Flash Point: -19°C(-2°F)
• Density: 0.894 g/cm^3

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3399
• Hazard Class: 4.3
• Packing Group: II
• Risk Statements: 11-14/15-19-36/37; R11 R14/15 R36/37/38
• Safety Statements: 16-26-30-43; S7/9 S16 S33 S7/8 S26 S37/39
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H225-H261-H314-H319-H335
• GHS Precautionary statements: P210-P280-P303+P361+P353-P305+P351+P338-P310-P370+P378I

Product Information

• Purity: 97%
• Concentration: 0.5M in THF