[(trifluoroacetyl)oxy]cuprio 2,2,2-trifluoroacetate hydrate

• ChemBase ID: 145428
• Molecular Formular: C4H2CuF6O5
• Molecular Mass: 307.5920992
• Monoisotopic Mass: 306.91023998
• SMILES: C(=O)(C(F)(F)F)O[Cu]OC(=O)C(F)(F)F.O
• Canonical SMILES: O=C(C(F)(F)F)O[Cu]OC(=O)C(F)(F)F.O
• InChI: InChI=1S/2C2HF3O2.Cu.H2O/c2*3-2(4,5)1(6)7;;/h2*(H,6,7);;1H2/q;;+2;/p-2
• InChIKey: SFAIGHZDVQCLIO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(trifluoroacetyl)oxy]cuprio 2,2,2-trifluoroacetate hydrate
• IUPAC Traditional name: [(trifluoroacetyl)oxy]cuprio 2,2,2-trifluoroacetate hydrate
• Synonyms: Copper(II) trifluoroacetate hydrate; 三氟乙酸铜 水合物

Database IDs

• CAS Number: 123333-88-0
• MDL Number: MFCD00167308
• PubChem SID: 24858844; 162239634
• PubChem CID: 71311159

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3592
• LogD (pH = 7.4): 1.3592
• Log P: 1.3592
• Molar Refractivity: 25.4526 cm^3
• Polarizability: 13.680897 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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: Cu(CO2CF3)2 · xH2O

DETAILS

Sigma Aldrich - 311189

Packaging
5 g in glass bottle