potassium trifluoroacetate

• ChemBase ID: 7751
• Molecular Formular: C2F3KO2
• Molecular Mass: 152.1137096
• Monoisotopic Mass: 151.94874558
• SMILES: O=C(C(F)(F)F)[O-].[K+]
• Canonical SMILES: [O-]C(=O)C(F)(F)F.[K+]
• InChI: InChI=1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
• InChIKey: CUNPJFGIODEJLQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoroacetate
• IUPAC Traditional name: potassium ion trifluoroacetate; potassium trifluoroacetate
• Synonyms: Potassium trifluoroacetate 98%; Trifluoroacetic acid potassium salt; Potassium trifluoroacetate; TRIFLUOROACETIC ACID; Trifluoroacetic acid potassium salt; 三氟乙酸 钾盐; 三氟乙酸钾

Database IDs

• CAS Number: 2923-16-2
• EC Number: 220-877-5
• MDL Number: MFCD00013215
• Beilstein Number: 3717603
• PubChem SID: 160971058; 24857002
• PubChem CID: 23662811

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: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear, colorless
• Melting Point: 140-142 °C; 140-142 °C(lit.); 142-145°C; 142-145°C; 143-145°C
• Density: 1.49 g/mL(lit.)

Safety Information

• Storage Warning: Hygroscopic; IRRITANT, MOISTURE SENSITIVE, HYGROSCOPIC; Irritant/Hygroscopic/Store under inert gas
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 28-50; 36/37/38
• Safety Statements: 20-22-26-45-61; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H400; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P264-P273-P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%; ≥99.0% (dry substance, NT); 98%
• Grade: puriss. p.a.
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤100 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Linear Formula: CF3COOK

DETAILS

MP Biomedicals - 02191333

Potassium Salt
Crystalline powder
Purity: ≥99%
Specific gravity: 1.276 g/ml.

Sigma Aldrich - 281883

Packaging
25, 100 g in glass bottle

REFERENCES

• Reagent for preparation of aryl trifluoromethyl sulfides, by heating with the diaryl disulfide: Tetrahedron Lett., 37, 9057 (1996).