bis([(heptafluorobutanoyl)oxy]rhodio 2,2,3,3,4,4,4-heptafluorobutanoate)

• ChemBase ID: 145657
• Molecular Formular: C16F28O8Rh2
• Molecular Mass: 1057.9326896
• Monoisotopic Mass: 1057.72561512
• SMILES: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O[Rh]OC(=O)C(C(C(F)(F)F)(F)F)(F)F.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O[Rh]OC(=O)C(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(C(C(F)(F)F)(F)F)(F)F)O[Rh]OC(=O)C(C(C(F)(F)F)(F)F)(F)F.O=C(C(C(C(F)(F)F)(F)F)(F)F)O[Rh]OC(=O)C(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/4C4HF7O2.2Rh/c4*5-2(6,1(12)13)3(7,8)4(9,10)11;;/h4*(H,12,13);;/q;;;;2*+2/p-4
• InChIKey: BNCXPORMMOBRMR-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis([(heptafluorobutanoyl)oxy]rhodio 2,2,3,3,4,4,4-heptafluorobutanoate)
• IUPAC Traditional name: bis([(heptafluorobutanoyl)oxy]rhodio 2,2,3,3,4,4,4-heptafluorobutanoate)
• Synonyms: Rhodium(II) heptafluorobutyrate dimer; 七氟丁酸铑(II)二聚体

Database IDs

• CAS Number: 73755-28-9
• MDL Number: MFCD00799582
• PubChem SID: 162239861; 24866595
• PubChem CID: 10909282

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.4472
• LogD (pH = 7.4): 5.4472
• Log P: 5.4472
• Molar Refractivity: 44.1246 cm^3
• Polarizability: 22.726374 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: >300 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: [(CF3CF2CF2CO2)2Rh]2

DETAILS

Sigma Aldrich - 424889

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Recently used in the catalytic preparation of macrocycles1 and in the efficient synthesis of chiral β-substituted (E)-crotylsilanes.2