λ1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene tert-butyl[(di-tert-butylphosphanyl)methyl]methylphosphane tetrafluoroboranuide

• ChemBase ID: 297333
• Molecular Formular: C22H44BF4P2Rh
• Molecular Mass: 560.2423948
• Monoisotopic Mass: 560.20024695
• SMILES: C(P(C(C)(C)C)C(C)(C)C)P(C(C)(C)C)C.[Rh+].C1=CCCC=CCC1.[B-](F)(F)(F)F
• Canonical SMILES: C1CC=CCCC=C1.F[B-](F)(F)F.CP(C(C)(C)C)CP(C(C)(C)C)C(C)(C)C.[Rh+]
• InChI: InChI=1S/C14H32P2.C8H12.BF4.Rh/c1-12(2,3)15(10)11-16(13(4,5)6)14(7,8)9;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h11H2,1-10H3;1-2,7-8H,3-6H2;;/q;;-1;+1/b;2-1-,8-7-;;/t15-;;;/m0.../s1
• InChIKey: CQCAQRWECWCUBU-ZRXYBOGPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene tert-butyl[(di-tert-butylphosphanyl)methyl]methylphosphane tetrafluoroboranuide
• IUPAC Traditional name: λ^1-rhodium(1+) ion (R)-tert-butyl[(di-tert-butylphosphanyl)methyl]methylphosphane 1,5-cyclooctadiene, (Z,Z)- tetrafluoroborate; λ^1-rhodium(1+) ion (S)-tert-butyl[(di-tert-butylphosphanyl)methyl]methylphosphane 1,5-cyclooctadiene, (Z,Z)- tetrafluoroborate
• Synonyms: [(S)-tert-Butylmethyl(di-tert-butylphosphinomethyl)phosphine](1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; (S)-[Rh COD TCFP]BF4; [(R)-tert-Butylmethyl(di-tert-butylphosphinomethyl)phosphine](1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; (R)-[Rh COD TCFP]BF4

Database IDs

• CAS Number: 705945-68-2; 705945-70-6
• MDL Number: MFCD11973806; MFCD11656093
• PubChem SID: 180682864
• PubChem CID: 72376358

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9167237
• LogD (pH = 7.4): 2.1984067
• Log P: 3.4496
• Molar Refractivity: 88.3985 cm^3
• Polarizability: 31.977505 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• 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 18.4%