1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium; bis(tetrafluoroboranuide)

• ChemBase ID: 9860
• Molecular Formular: C10H8B2F10N2
• Molecular Mass: 367.789952
• Monoisotopic Mass: 368.07139127
• SMILES: c1(c2cccc[n+]2F)cccc[n+]1F.F[B-](F)(F)F.F[B-](F)(F)F
• Canonical SMILES: F[B-](F)(F)F.F[B-](F)(F)F.F[n+]1ccccc1c1cccc[n+]1F
• InChI: InChI=1S/C10H8F2N2.2BF4/c11-13-7-3-1-5-9(13)10-6-2-4-8-14(10)12;2*2-1(3,4)5/h1-8H;;/q+2;2*-1
• InChIKey: IDFABAACDRPWQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium; bis(tetrafluoroboranuide)
• IUPAC Traditional name: 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate
• Synonyms: 1,1′-Difluoro-2,2′-bipyridinium bis(tetrafluoroborate); MEC-31; N,N'-Difluoro-2,2'-bipyridinium bis(tetrafluoroborate); N,N'-Difluoro-2,2'-bipyridinium bis(tetrafluoroborate) 98%; 1,1′-二氟-2,2′-联吡啶双四氟硼酸盐

Database IDs

• CAS Number: 178439-26-4
• MDL Number: MFCD01073546
• PubChem SID: 24871924; 160973167
• PubChem CID: 2733931

CALCULATED PROPERTIES

• Acid pKa: 14.012319
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.5962296
• LogD (pH = 7.4): -3.5962296
• Log P: -3.5962296
• Molar Refractivity: 53.3768 cm^3
• Polarizability: 19.254253 Å^3
• Polar Surface Area: 7.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166-168°C; 175 °C (dec.)(lit.)

Safety Information

• Storage Warning: CORROSIVE; Corrosive/Keep Cold
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-34
• Safety Statements: 26-27-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C10H8B2F10N2

DETAILS

Apollo Scientific Ltd - PC6095

Fluorinating agent (103g/Kg effective F2), ask for literature

Sigma Aldrich - 483885

Packaging
1 g in glass bottle
Application

• Fluorinating agent1Reactant for:
• Electrophilic fluorination2,3
• Preparation of electrophiles from common anions via fluorination4