zinc(2+) ion ditrifluoroacetate

• ChemBase ID: 303067
• Molecular Formular: C4F6O4Zn
• Molecular Mass: 291.4108192
• Monoisotopic Mass: 289.8992198
• SMILES: C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Zn+2]
• Canonical SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[Zn+2]
• InChI: InChI=1S/2C2HF3O2.Zn/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
• InChIKey: VCQWRGCXUWPSGY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion ditrifluoroacetate
• IUPAC Traditional name: zinc(2+) ion ditrifluoroacetate
• Synonyms: Zinc trifluoroacetate hydrate; 三氟乙酸锌水合物

Database IDs

• CAS Number: 207801-31-8
• EC Number: 258-922-6
• MDL Number: MFCD00061595

CALCULATED PROPERTIES

• Acid pKa: 0.9503416
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• Molar Refractivity: 24.491 cm^3
• Polarizability: 5.106112 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder/chunks

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36/37/38-50/53
• Safety Statements: 26-36/37/39-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS09
• GHS Hazard statements: H300-H400
• GHS Precautionary statements: P273-P264-P301+P310-P321-P405-P501A