1-Fluoro-3,3-dimethyl-1,2-benziodoxole

• Catalog: OFC1391728134
• CAS: 1391728-13-4
• Category: Electrophilic Fluorination Agents
• Synonyms: Alcohol Fluoroiodane
• Purity: >98.0%(T)

• IUPAC Name: 1-fluoro-3,3-dimethyl-1lambda3,2-benziodoxole
• InChI: InChI=1S/C9H10FIO/c1-9(2)7-5-3-4-6-8(7)11(10)12-9/h3-6H,1-2H3
• InChI Key: FISITPXJYDTLHI-UHFFFAOYSA-N
• Isomeric SMILES: CC1(C2=CC=CC=C2I(O1)F)C
• EC Number: 811-072-5
• Reaxys Registry Number: 23779593

• Molecular Formula: C9H10FIO
• Molecular Weight: 280.08
• Melting Point: 86.0-90.0 °C
• Appearance: White to orange to green powder to crystaline
• Solubility: Soluble in methanol
• Storage: Store under inert gas
• Stability: Air sensitive

• XLogP3-AA: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 279.97604 g/mol
• Monoisotopic Mass: 279.97604 g/mol
• Topological Polar Surface Area: 9.2Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 183

• HS Number: 2934.99.4400