potassium fluoride hydrofluoride

• ChemBase ID: 137650
• Molecular Formular: F2K
• Molecular Mass: 77.0951064
• Monoisotopic Mass: 76.96051312
• SMILES: F.[F-].[K+]
• Canonical SMILES: F.[F-].[K+]
• InChI: InChI=1S/2FH.K/h2*1H;/q;;+1/p-1
• InChIKey: VBKNTGMWIPUCRF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium fluoride hydrofluoride
• IUPAC Traditional name: potassium fluoride hydrofluoride
• Synonyms: Potassium bifluoride; Potassium hydrogen difluoride; Potassium hydrogenfluoride; Potassium acid bifluoride solution; Potassium acid fluoride solution; Potassium fluoride hydrofluoride solution; Potassium monohydrogen difluoride solution; Potassium hydrogenfluoride solution; Potassium hydrogen difluoride; Potassium hydrogen fluoride; 二氟氢化钾; 二氟氢钾; 氟氢化钾; 二氟化氢钾; 酸式氟化钾; 氟化氢钾 溶液; 氟化氢钾

Database IDs

• CAS Number: 7789-29-9
• EC Number: 232-156-2
• MDL Number: MFCD00011403
• Merck Index: 147610
• PubChem SID: 24854367; 24884664; 24881842; 162231912
• PubChem CID: 11829350

CALCULATED PROPERTIES

• Acid pKa: 3.17
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.3684526
• LogD (pH = 7.4): 0.36924794
• Log P: 0.14883864
• Molar Refractivity: 1.6725 cm^3
• Polarizability: 0.73904246 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water (39g/100ml), dilute alcohol. Insoluble in absolute alcohol
• Apperance: Crystalline
• Melting Point: 239 °C(lit.); 239°C dec.
• Density: 1.136 g/mL at 25 °C; 2.37 g/mL at 25 °C(lit.); 2.370

Safety Information

• Storage Warning: Hygroscopic
• RTECS: TS6650000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 1811; 3421; UN1811
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 25-34
• Safety Statements: 22-26-37-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314; H302-H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P301 + P310-P305 + P351 + P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1811 8/PG 2; UN 3421 8/PG 2

Product Information

• Purity: ≥99.0% (F); ≥99.99%; 99%; 99+% (metals basis)
• Concentration: 3.0 M in H2O
• Grade: purum p.a.
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; Na: ≤5000 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; sulfate (SO42-): ≤100 mg/kg
• Linear Formula: KHF2

DETAILS

Sigma Aldrich - 463671

Application
Used in the hydrofluorination of unsaturated compounds.1

Sigma Aldrich - 663883

Application
Reagent used to prepare potassium organotrifluoroborates from their corresponding boronic acids.4
Reactant for:
• Development of 18F-labeled trifluoroboroaryl-functionalized PAMAM dendron/biotin conjugates for targeting of HER-2 expressing cancer cells pretreated with avidin-conjugated antibody1
• Preparation of tetrabutylammonium trifluoroborates2
• Used as a nucleophile for charge delocalization and enhanced acidity in tricationic superelectrophiles3
Packaging
25, 100, 500 mL in poly bottle

Sigma Aldrich - 60344

Other Notes
Fluorinating agent; preparation of 2-fluoro-sugars1; Monofluorination of inorganic phosphate2

Sigma Aldrich - 239283

Packaging
2.5 kg in poly bottle
25, 500 g in poly bottle