λ3-iodyliumylidene bis(pyridine) tetrafluoroboranuide

• ChemBase ID: 151356
• Molecular Formular: C10H10BF4IN2
• Molecular Mass: 371.9088828
• Monoisotopic Mass: 371.99178961
• SMILES: [B-](F)(F)(F)F.c1ccncc1.c1ccncc1.[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: λ^3-iodyliumylidene bis(pyridine) tetrafluoroboranuide
• IUPAC Traditional name: λ^3-iodyliumylidene bis(pyridine) tetrafluoroborate
• Synonyms: Bis(pyridine)iodonium tetrafluoroborate; 双(吡啶)四氟硼化碘

Database IDs

• CAS Number: 15656-28-7
• MDL Number: MFCD03703393
• PubChem SID: 24877831; 162245510
• PubChem CID: 71311511

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: 137-141 °C(lit.)

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
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C10H10BF4IN2

DETAILS

Sigma Aldrich - 531634

Application
Mild iodinating1 and oxidizing2 reagent.
Packaging
1 g in glass bottle