Pyrimidine-2-sulfonyl Fluoride

• Catalog: OFC35762879-1
• CAS: 35762-87-9
• Category: Nucleophilic Fluorination Agents
• Synonyms: 2-Pyrimidinesulfonylfluoride
• Purity: >98.0%(GC)
• MDL Number: MFCD09265503

• IUPAC Name: pyrimidine-2-sulfonyl fluoride
• InChI: InChI=1S/C4H3FN2O2S/c5-10(8,9)4-6-2-1-3-7-4/h1-3H
• InChI Key: HMZIGHBQOOGZAK-UHFFFAOYSA-N
• Isomeric SMILES: C1=CN=C(N=C1)S(=O)(=O)F
• EC Number: 834-780-6
• Reaxys Registry Number: 957187

• Molecular Formula: C4H3FN2O2S
• Molecular Weight: 162.14
• Melting Point: 58.0- 62.0 °C
• Storage: 0-10 °C; Store under inert gas
• Stability: Moisture sensitive; Heat sensitive

• XLogP3-AA: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 161.98992668 g/mol
• Monoisotopic Mass: 161.98992668 g/mol
• Topological Polar Surface Area: 68.3Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 192

• HS Number: 2933.59.8000