1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole

• Catalog: OFC887144970-2
• CAS: 887144-97-0
• Category: Trifluoromethylation Agents
• Synonyms: Togni Reagent
• Purity: >97.0%(HPLC)
• MDL Number: MFCD10567056

• IUPAC Name: 3,3-dimethyl-1-(trifluoromethyl)-1lambda3,2-benziodoxole
• InChI: InChI=1S/C10H10F3IO/c1-9(2)7-5-3-4-6-8(7)14(15-9)10(11,12)13/h3-6H,1-2H3
• InChI Key: HVAPLSNCVYXFDQ-UHFFFAOYSA-N
• Isomeric SMILES: CC1(C2=CC=CC=C2I(O1)C(F)(F)F)C
• EC Number: 626-754-6
• Reaxys Registry Number: 10663510

• Molecular Formula: C10H10F3IO
• Molecular Weight: 330.09
• Melting Point: 76.0-80.0 °C
• Appearance: White to almost white powder to crystal
• Storage: 0-10 °C; Store under inert gas
• Stability: Moisture sensitive, Heat sensitive

• XLogP3-AA: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 329.97285 g/mol
• Monoisotopic Mass: 329.97285 g/mol
• Topological Polar Surface Area: 9.2Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 252

• HS Number: 2906.29.6000