Phenyl Trifluoromethyl Sulfoxide

• Catalog: OFC703184
• CAS: 703-18-4
• Category: Trifluoromethylation Agents
• Synonyms: (Trifluoromethyl)sulfinyl]benzene
• Purity: >98.0%(GC)

• IUPAC Name: trifluoromethylsulfinylbenzene
• InChI: InChI=1S/C7H5F3OS/c8-7(9,10)12(11)6-4-2-1-3-5-6/h1-5H
• InChI Key: WZAJOJWOOXXUCT-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)C(F)(F)F
• EC Number: 834-773-8
• Reaxys Registry Number: 2443059

• Molecular Formula: C7H5F3OS
• Molecular Weight: 194.17
• Boiling Point: 82 °C (10 mmHg)
• Flash Point: 83 °C
• Specific Gravity: 1.39
• Refractive Index: 1.49
• Appearance: Colorless to light orange to Yellow clear liquid
• Storage: Store under inert gas
• Stability: Air sensitive

• XLogP3-AA: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 194.00132044 g/mol
• Monoisotopic Mass: 194.00132044 g/mol
• Topological Polar Surface Area: 36.3Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172

• HS Number: 2930.90.2900