mercury(2+) ion ditrifluoroacetate

• ChemBase ID: 97726
• Molecular Formular: C4F6HgO4
• Molecular Mass: 426.6208192
• Monoisotopic Mass: 427.9407208
• SMILES: [O-]C(=O)C(F)(F)F.[Hg+2].[O-]C(=O)C(F)(F)F
• Canonical SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[Hg+2]
• InChI: InChI=1S/2C2HF3O2.Hg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
• InChIKey: WMHOESUUCMEQMS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: mercury(2+) ion ditrifluoroacetate
• IUPAC Traditional name: mercury(2+) ion ditrifluoroacetate; mercury(2+) ditrifluoroacetate
• Synonyms: Mercury(II) trifluoroacetate; Mercuric trifluoroacetate; Mercury(II) trifluoroacetate; 三氟乙酸汞(II)

Database IDs

• CAS Number: 13257-51-7
• EC Number: 236-250-4
• MDL Number: MFCD00013201
• Beilstein Number: 3633860
• PubChem SID: 162084289
• PubChem CID: 2723924

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: Crystalline
• Melting Point: 167-169°C; 167-173°C
• Flash Point: none°C

Safety Information

• Storage Warning: Hygroscopic; Very Toxic/Air Sensitive/Moisture Sensitive/Store under Argon
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN2025
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 26/27/28-33-50/53
• Safety Statements: 13-20-22-26-28-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H300-H310-H330-H373-H400-H410
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A

Product Information

• Purity: 98+%

DETAILS

Apollo Scientific Ltd - PC4888

Synthesis, 722 (1974): more reactive in alpha-acetoxylation of alkenes than lead(IV)acetate. Please enquire for other uses and references