1-fluoropyridin-1-ium; bis(trifluoro-$l^{4}-boranyl)fluoranuide; pyridine

• ChemBase ID: 97228
• Molecular Formular: C10H10B2F8N2
• Molecular Mass: 331.8090256
• Monoisotopic Mass: 332.09023489
• SMILES: [n+]1(ccccc1)F.n1ccccc1.[B]([F-][B](F)(F)F)(F)(F)F
• Canonical SMILES: c1cccnc1.F[B]([F-][B](F)(F)F)(F)F.F[n+]1ccccc1
• InChI: InChI=1S/C5H5FN.C5H5N.B2F7/c6-7-4-2-1-3-5-7;1-2-4-6-5-3-1;3-1(4,5)9-2(6,7)8/h1-5H;1-5H;/q+1;;-1
• InChIKey: SWZORICHKHSIOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoropyridin-1-ium; bis(trifluoro-$l^{4}-boranyl)fluoranuide; pyridine
• IUPAC Traditional name: 1-fluoropyridin-1-ium; bis(trifluoro-$l^{4}-boranyl)fluoranuide; pyridine
• Synonyms: N-Fluoropyridinium pyridine heptafluoro diborate

Database IDs

• CAS Number: 131307-35-2
• MDL Number: MFCD00142628
• PubChem SID: 162083839
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 10.5091 cm^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 198-201°C

Safety Information

• Storage Warning: Moisture sensitive/Corrosive

DETAILS

Apollo Scientific Ltd - PC4201P

Electrophilic fluorinating agent: active fluorine 57.3mg/g. See:JOC., 56, 5962 (1991). Ask for technical literature.