2-Fluoro-1-methylpyridinium p-Toluenesulfonate

• Catalog: OFC58086672-2
• CAS: 58086-67-2
• Category: Nucleophilic Fluorination Agents
• Synonyms: 2-Fluoro-1-Methylpyridin-1-Ium 4-Methylbenzenesulfonate
• Purity: >98.0%(T)
• MDL Number: MFCD00011983

• IUPAC Name: 2-fluoro-1-methylpyridin-1-ium;4-methylbenzenesulfonate
• InChI: InChI=1S/C7H8O3S.C6H7FN/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5H,1H3/q;+1/p-1
• InChI Key: HQWDKLAIDBOLFE-UHFFFAOYSA-M
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1F
• EC Number: 261-108-3
• Reaxys Registry Number: 4345357

• Molecular Formula: C13H14FNO3S
• Molecular Weight: 283.32
• Melting Point: 132 °C
• Appearance: White to almost white powder to crystal
• Solubility: Soluble in water
• Storage: Store under inert gas
• Stability: Moisture sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 283.06784264 g/mol
• Monoisotopic Mass: 283.06784264 g/mol
• Topological Polar Surface Area: 69.5Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 268