Ishikawa's Reagent

• Catalog: OFC309886-5
• CAS: 309-88-6
• Category: Nucleophilic Fluorination Agents
• Synonyms: Hexafluoropropene Diethylamine; N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine
• Purity: >92.0%(T)
• MDL Number: MFCD00060264

• IUPAC Name: N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine
• InChI: InChI=1S/C7H11F6N/c1-3-14(4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3
• InChI Key: BNTFCVMJHBNJAR-UHFFFAOYSA-N
• Isomeric SMILES: CCN(CC)C(C(C(F)(F)F)F)(F)F
• EC Number: 628-698-8
• Reaxys Registry Number: 7833073

• Molecular Formula: C7H11F6N
• Molecular Weight: 223.16
• Boiling Point: 54 °C (50 mmHg)
• Flash Point: 40 °C
• Appearance: Colorless to yellow clear liquid
• Solubility: Soluble in ether, acetone
• Storage: Store under inert gas
• Stability: Moisture sensitive

• XLogP3-AA: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 223.07956833 g/mol
• Monoisotopic Mass: 223.07956833 g/mol
• Topological Polar Surface Area: 3.2Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 174

• HS Number: 2903.39.2050