Difluoromethyl 2-Pyridyl Sulfone

• Catalog: OFC1219454893-1
• CAS: 1219454-89-3
• Category: Difluoromethylation Agents
• Synonyms: 2-(Difluoromethylsulfonyl)pyridine; 2-PySO2CF2H
• Purity: >98.0%(GC)
• MDL Number: MFCD17010193

• IUPAC Name: 2-(difluoromethylsulfonyl)pyridine
• InChI: InChI=1S/C6H5F2NO2S/c7-6(8)12(10,11)5-3-1-2-4-9-5/h1-4,6H
• InChI Key: YRQNSTAWTLXCEZ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=NC(=C1)S(=O)(=O)C(F)F
• EC Number: 802-388-4
• Reaxys Registry Number: 20317604

• Molecular Formula: C6H5F2NO2S
• Molecular Weight: 193.17
• Melting Point: 47.0-51.0 °C
• Appearance: White to almost white powder to crystal

• XLogP3-AA: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 193.00090590 g/mol
• Monoisotopic Mass: 193.00090590 g/mol
• Topological Polar Surface Area: 55.4Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 234

• HS Number: 2933.39.9200