Difluoromethyl Phenyl Sulfone

• Catalog: OFC1535655-1
• CAS: 1535-65-5
• Category: Difluoromethylation Agents
• Synonyms: (Difluoromethyl)sulfonylbenzene
• Purity: >98.0%(GC)
• MDL Number: MFCD01050170

• IUPAC Name: difluoromethylsulfonylbenzene
• InChI: InChI=1S/C7H6F2O2S/c8-7(9)12(10,11)6-4-2-1-3-5-6/h1-5,7H
• InChI Key: LRHDNAVPELLXDL-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)(=O)C(F)F
• EC Number: 802-873-0
• Reaxys Registry Number: 2259218

• Molecular Formula: C7H6F2O2S
• Molecular Weight: 192.18
• Boiling Point: 120 °C
• Flash Point: 128 °C
• Specific Gravity: 1.40
• Refractive Index: 1.50
• Appearance: White or colorless to almost white or almost colorless powder to lump to clear liquid
• Storage: 0-10 °C

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.00565693 g/mol
• Monoisotopic Mass: 192.00565693 g/mol
• Topological Polar Surface Area: 42.5Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 224

• HS Number: 2930.90.2900