1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one (contains 60% Diatomaceous earth)

• Catalog: OFC887144947
• CAS: 887144-94-7
• Category: Trifluoromethylation Agents
• Synonyms: Togni Reagent II (contains 60% Diatomaceous earth)
• MDL Number: MFCD18800706

• IUPAC Name: 1-(trifluoromethyl)-1lambda3,2-benziodoxol-3-one
• InChI: InChI=1S/C8H4F3IO2/c9-8(10,11)12-6-4-2-1-3-5(6)7(13)14-12/h1-4H
• InChI Key: XHEOXSQMBWJOKP-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)OI2C(F)(F)F
• EC Number: 688-223-5
• Reaxys Registry Number: 11062788

• Molecular Formula: C8H4F3IO2
• Molecular Weight: 316.02
• Melting Point: 158 °C
• Appearance: White to almost white powder to crystal
• Storage: 0-10°C; Store under inert gas
• Stability: Air sensitive, Moisture sensitive, Heat sensitive

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 315.92081 g/mol
• Monoisotopic Mass: 315.92081 g/mol
• Topological Polar Surface Area: 26.3Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 254

• HS Number: 2934.99.4400