Pentafluorophenyl trifluoroacetate

• Catalog: OFC14533847
• CAS: 14533-84-7
• Category: Trifluoromethylation Agents
• Synonyms: Perfluorophenyl 2,2,2-Trifluoroacetate
• Purity: 98%
• MDL Number: MFCD00134438

• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate
• InChI: InChI=1S/C8F8O2/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16
• InChI Key: VCQURUZYYSOUHP-UHFFFAOYSA-N
• Isomeric SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C(F)(F)F
• EC Number: 629-320-4
• Reaxys Registry Number: 2003848

• Molecular Formula: C8F8O2
• Molecular Weight: 280.07
• Melting Point: 4 °C
• Boiling Point: 122 °C
• Flash Point: 52 °C
• Specific Gravity: 1.64
• Refractive Index: 1.37
• Appearance: Colorless to light yellow clear liquid
• Storage: Keep in dark place, inert atmosphere, room temperature
• Stability: Moisture sensitive

• XLogP3-AA: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 279.97705454 g/mol
• Monoisotopic Mass: 279.97705454 g/mol
• Topological Polar Surface Area: 26.3Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303

• HS Number: 2918.99.4700