bis(pyridin-1-ium-1-yl)iodanuide; tetrafluoroboranuide

• ChemBase ID: 12036
• Molecular Formular: C10H10BF4IN2
• Molecular Mass: 371.9088828
• Monoisotopic Mass: 371.99178961
• SMILES: [B-](F)(F)(F)F.[I-]([n+]1ccccc1)[n+]1ccccc1
• Canonical SMILES: c1cc[n+](cc1)[I-][n+]1ccccc1.F[B-](F)(F)F
• InChI: InChI=1S/C10H10IN2.BF4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1(3,4)5/h1-10H;/q+1;-1
• InChIKey: BMDSRCBKJZCUBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(pyridin-1-ium-1-yl)iodanuide; tetrafluoroboranuide
• IUPAC Traditional name: bis(pyridin-1-ium-1-yl)iodanuide tetrafluoroborate
• Synonyms: Bis(pyridine)iodonium tetrafluoroborate

Database IDs

• CAS Number: 15656-28-7
• MDL Number: MFCD03703393
• PubChem SID: 160975343
• PubChem CID: 2734710

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 64.8818 cm^3
• Polar Surface Area: 7.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 159-161°C(dec)

Safety Information

• Storage Warning: MOISTURE SENSITIVE, KEEP COLD
• TSCA Listed: false