λ1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene tetrafluoroboranuide bis(triphenylphosphane)

• ChemBase ID: 297384
• Molecular Formular: C44H42BF4P2Rh
• Molecular Mass: 822.4619148
• Monoisotopic Mass: 822.18459688
• SMILES: C1C=CCCC=CC1.[Rh+].[B-](F)(F)(F)F.P(c1ccccc1)(c1ccccc1)c1ccccc1.P(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: C1CC=CCCC=C1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.F[B-](F)(F)F.[Rh+]
• InChI: InChI=1S/2C18H15P.C8H12.BF4.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-15H;1-2,7-8H,3-6H2;;/q;;;-1;+1/b;;2-1-,8-7-
• InChIKey: HSBSSSQXPIKQDS-JXNOXZOESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene tetrafluoroboranuide bis(triphenylphosphane)
• IUPAC Traditional name: λ^1-rhodium(1+) ion 1,5-cyclooctadiene, (Z,Z)- bis(triphenylphosphine) tetrafluoroborate
• Synonyms: Bis(triphenylphosphine)(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; [Rh COD (PPh3)2]BF4

Database IDs

• CAS Number: 32762-45-1
• MDL Number: MFCD16294981
• PubChem SID: 180682915
• PubChem CID: 73995212

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: Rh 12.5%