(1,10-Phenanthroline)(trifluoromethyl)(triphenylphosphine)copper(I)

• Catalog: OFC1334890935
• CAS: 1334890-93-5
• Category: Trifluoromethylation Agents
• Purity: >95.0%(T)

• IUPAC Name: copper(1+);1,10-phenanthroline;trifluoromethane;triphenylphosphane
• InChI: InChI=1S/C18H15P.C12H8N2.CF3.Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3)4;/h1-15H;1-8H;;/q;;-1;+1
• InChI Key: AKGOGTMOALVICI-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[C-](F)(F)F.[Cu+]
• EC Number: 808-211-7
• Reaxys Registry Number: 21742347

• Molecular Formula: C31H23CuF3N2P
• Molecular Weight: 575.05
• Appearance: Light yellow to brown powder to crystal
• Storage: Store under inert gas
• Stability: Air sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 574.084692 g/mol
• Monoisotopic Mass: 574.084692 g/mol
• Topological Polar Surface Area: 25.8Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 396

• HS Number: 2933.99.9701