bis([(trifluoroacetyl)oxy]rhodio 2,2,2-trifluoroacetate)

• ChemBase ID: 147707
• Molecular Formular: C8F12O8Rh2
• Molecular Mass: 657.8726384
• Monoisotopic Mass: 657.7511636
• SMILES: C(=O)(C(F)(F)F)O[Rh]OC(=O)C(F)(F)F.C(=O)(C(F)(F)F)O[Rh]OC(=O)C(F)(F)F
• Canonical SMILES: O=C(C(F)(F)F)O[Rh]OC(=O)C(F)(F)F.O=C(C(F)(F)F)O[Rh]OC(=O)C(F)(F)F
• InChI: InChI=1S/4C2HF3O2.2Rh/c4*3-2(4,5)1(6)7;;/h4*(H,6,7);;/q;;;;2*+2/p-4
• InChIKey: PQEXTYUESSEHKW-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis([(trifluoroacetyl)oxy]rhodio 2,2,2-trifluoroacetate)
• IUPAC Traditional name: bis([(trifluoroacetyl)oxy]rhodio 2,2,2-trifluoroacetate)
• Synonyms: Trifluoroacetic acid rhodium(II) salt dimer; Rhodium(II) trifluoroacetate dimer; 三氟乙酸铑(II)盐二聚体; 三氟乙酸铑(II)二聚体

Database IDs

• CAS Number: 31126-95-1
• MDL Number: MFCD00209611
• PubChem SID: 162241892; 24864793
• PubChem CID: 10985187

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1092
• LogD (pH = 7.4): 2.1092
• Log P: 2.1092
• Molar Refractivity: 25.4526 cm^3
• Polarizability: 15.104206 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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

• Linear Formula: [(CF3COO)2Rh]2

DETAILS

Sigma Aldrich - 399191

Other Notes
Contains a trace amount of rhodium acetate
Packaging
1 g in glass bottle
50, 250 mg in glass bottle
Application
Used in the preparation of isomerically pure α,β-unsaturated carbonyl compounds1 and the preparation of building blocks for one-, two-, and three-dimensional molecular solids.2