iodium bis(pyridine) tetrafluoroboranuide

• ChemBase ID: 98997
• Molecular Formular: C10H10BF4IN2
• Molecular Mass: 371.9088828
• Monoisotopic Mass: 371.99178961
• SMILES: [B-](F)(F)(F)F.n1ccccc1.n1ccccc1.[I+]
• Canonical SMILES: c1cccnc1.c1cccnc1.F[B-](F)(F)F.[I+]
• InChI: InChI=1S/2C5H5N.BF4.I/c2*1-2-4-6-5-3-1;2-1(3,4)5;/h2*1-5H;;/q;;-1;+1
• InChIKey: JBVUIHBKNVHCKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodium bis(pyridine) tetrafluoroboranuide
• IUPAC Traditional name: iodium bis(pyridine) tetrafluoroborate
• Synonyms: Barluenga's Reagent; Bis(pyridine)iodonium tetrafluoroborate

Database IDs

• CAS Number: 15656-28-7
• MDL Number: MFCD03703393
• PubChem SID: 162085299
• PubChem CID: 10883201

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• Molar Refractivity: 23.9011 cm^3
• Polarizability: 9.4423685 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159-164°C

Safety Information

• Storage Warning: Irritant/Light Sensitive/Moisture Sensitive/Store under Argon/Keep Cold