λ1-rhodium(1+) ion bicyclo[2.2.1]hepta-2,5-diene tris(dimethyl(phenyl)phosphane) hexafluoro-λ5-phosphanuide

• ChemBase ID: 150331
• Molecular Formular: C31H41F6P4Rh
• Molecular Mass: 754.4482032
• Monoisotopic Mass: 754.11179615
• SMILES: CP(C)c1ccccc1.CP(C)c1ccccc1.CP(C)c1ccccc1.C1C2C=CC1C=C2.F[P-](F)(F)(F)(F)F.[Rh+]
• Canonical SMILES: C1=CC2CC1C=C2.F[P-](F)(F)(F)(F)F.CP(c1ccccc1)C.CP(c1ccccc1)C.CP(c1ccccc1)C.[Rh+]
• InChI: InChI=1S/3C8H11P.C7H8.F6P.Rh/c3*1-9(2)8-6-4-3-5-7-8;1-2-7-4-3-6(1)5-7;1-7(2,3,4,5)6;/h3*3-7H,1-2H3;1-4,6-7H,5H2;;/q;;;;-1;+1
• InChIKey: KSBHDOZWEREXLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion bicyclo[2.2.1]hepta-2,5-diene tris(dimethyl(phenyl)phosphane) hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: λ^1-rhodium(1+) ion tris(dimethylphenylphosphine) norbornadiene hexafluorophosphate
• Synonyms: [(2,3-η)-Bicyclo[2.2.1]hepta-2,5-diene]tris(dimethylphenylphosphine)rhodium(I) hexafluorophosphate; [Tris(dimethylphenylphosphine)](2,5-norbornadiene)rhodium(I) hexafluorophosphate; [三(二甲基苯基膦)](2,5-降冰片二烯)六氟磷酸铑(I)

Database IDs

• CAS Number: 32761-50-5
• MDL Number: MFCD02091681
• PubChem SID: 162244492; 24860485
• PubChem CID: 16212149

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.194198
• LogD (pH = 7.4): 2.3848538
• Log P: 2.3882
• Molar Refractivity: 41.7725 cm^3
• Polarizability: 16.763628 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 158-161 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C31H41F6P4Rh

DETAILS

Sigma Aldrich - 337501

Packaging
100 mg in glass bottle
Application
Catalyst for aminomethylation1