Cas no 16971-01-0 (Iridium,dichlorohydrotris(triphenylphosphine)-)

Iridium,dichlorohydrotris(triphenylphosphine)- structure
16971-01-0 structure
Product Name:Iridium,dichlorohydrotris(triphenylphosphine)-
CAS No:16971-01-0
MF:C54H46Cl2IrP3
MW:1050.98732995987
CID:208305
PubChem ID:86890
Update Time:2025-04-19

Iridium,dichlorohydrotris(triphenylphosphine)- Chemical and Physical Properties

Names and Identifiers

    • Iridium,dichlorohydrotris(triphenylphosphine)-
    • dichlorohydrotris(triphenylphosphine)iridium
    • cis,mer-IrHCl2(PPh3)3
    • cis-IrHCl2(PPh3)3
    • cis-mer-[IrCl2H(triphenylphosphine)3]
    • Dichlorohydridotris(triphenylphosphine)iridium (III),Ir
    • Dichlorohydridotris(triphenylphosphine)iridium(III)
    • Hydridodichlorotris-(triphenylphosphino)-iridium
    • IridiuM,dichlorohydrotris(triphenylphosphine)
    • mer-IrHCl2(PPh3)3
    • Einecs 241-048-4
    • Iridium( cento),dichlorohydrotris(triphenylphosphine)
    • hydride;iridium(3+);triphenylphosphane;dichloride
    • 16971-01-0
    • Ir18.3%
    • Dichlorohydridotris(triphenylphosphine)iridium (III), Ir 18.3%
    • DNCBRZLWZJURKO-UHFFFAOYSA-L
    • Inchi: 1S/3C18H15P.2ClH.Ir.H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h3*1-15H;2*1H;;/q;;;;;+3;-1/p-2
    • InChI Key: DNCBRZLWZJURKO-UHFFFAOYSA-L
    • SMILES: [Ir+3].[Cl-].[Cl-].P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[H-]

Computed Properties

  • Exact Mass: 1051.19000
  • Monoisotopic Mass: 1050.18187g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 60
  • Rotatable Bond Count: 9
  • Complexity: 202
  • Covalently-Bonded Unit Count: 7
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 40.77000
  • LogP: 12.27260
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