1-Fluoropyridinium Trifluoromethanesulfonate

• Catalog: OFC107263956-2
• CAS: 107263-95-6
• Category: Electrophilic Fluorination Agents
• Synonyms: 1-Fluoropyridinium Triflate
• Purity: >96.0%(T)
• MDL Number: MFCD00013458

• IUPAC Name: 1-fluoropyridin-1-ium;trifluoromethanesulfonate
• InChI: InChI=1S/C5H5FN.CHF3O3S/c6-7-4-2-1-3-5-7;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1
• InChI Key: JFZMMCYRTJBQQI-UHFFFAOYSA-M
• Isomeric SMILES: C1=CC=[N+](C=C1)F.C(F)(F)(F)S(=O)(=O)[O-]
• EC Number: 626-610-2
• Reaxys Registry Number: 4222821

• Molecular Formula: C6H5F4NO3S
• Molecular Weight: 247.16
• Melting Point: 181.0-186.0 °C
• Appearance: White to light yellow powder to crystal
• Solubility: Soluble in water
• Storage: Store under inert gas
• Stability: Moisture sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 246.99262684 g/mol
• Monoisotopic Mass: 246.99262684 g/mol
• Topological Polar Surface Area: 69.5Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 195