1-fluoropyridin-1-ium; tetrafluoroboranuide

• ChemBase ID: 97229
• Molecular Formular: C5H5BF5N
• Molecular Mass: 184.902916
• Monoisotopic Mass: 185.04352067
• SMILES: [n+]1(ccccc1)F.[B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F.F[n+]1ccccc1
• InChI: InChI=1S/C5H5FN.BF4/c6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5H;/q+1;-1
• InChIKey: PIGQKECRKGMXRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoropyridin-1-ium; tetrafluoroboranuide
• IUPAC Traditional name: 1-fluoropyridin-1-ium tetrafluoroborate
• Synonyms: 1-Fluoropyridinium tetrafluoroborate; N-Fluoropyridinium tetrafluroborate 97%; 1-氟吡啶四氟硼酸盐

Database IDs

• CAS Number: 107264-09-5
• MDL Number: MFCD00153176
• Beilstein Number: 4281226
• PubChem SID: 162083840; 24863216
• PubChem CID: 2733303

CALCULATED PROPERTIES

• Acid pKa: 15.413013
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.5551056
• LogD (pH = 7.4): -1.5551056
• Log P: -1.5551056
• Molar Refractivity: 27.2718 cm^3
• Polarizability: 9.315257 Å^3
• Polar Surface Area: 3.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186-192 °C(lit.); 186-192°C

Safety Information

• Storage Warning: Corrosive/Harmful/Moisture Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H5BF5N

DETAILS

Apollo Scientific Ltd - PC4201U

Electrophilic fluorinating agent

Sigma Aldrich - 377260

Packaging
1, 5 g in poly bottle