potassium hydrogen sulfate

• ChemBase ID: 104539
• Molecular Formular: HKO4S
• Molecular Mass: 136.16884
• Monoisotopic Mass: 135.92326119
• SMILES: [K+].OS(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)O.[K+]
• InChI: InChI=1S/K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1
• InChIKey: CHKVPAROMQMJNQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium hydrogen sulfate
• IUPAC Traditional name: potassium hydrogensulfate; potassium ion hydrogensulfate
• Synonyms: Potassium hydrogen sulfate; Potassium bisulfate; Potassium bisulfate; POTASSIUM HYDROGEN SULFATE; Potassium hydrogen sulfate; 硫酸氢钾; 酸式硫酸钾; 硫酸氢钾

Database IDs

• CAS Number: 7646-93-7
• EC Number: 231-594-1
• MDL Number: MFCD00011404
• Merck Index: 147613
• PubChem SID: 24865023; 24881844; 24881854; 162091953; 24853385
• PubChem CID: 516920

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 12.6491 cm^3
• Polarizability: 6.158906 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless
• Apperance: crystals and lumps
• Melting Point: 195-197°C dec.; 214 °C(lit.); 214°C
• Density: 2.240; 2.32 g/mL at 25 °C(lit.); 2.322 g/ml
• Absorption Wavelength: λ: 260 nm Amax: 0.030; λ: 280 nm Amax: 0.030
• pH: <1.5 (25 °C, 1 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: TS7200000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2509; UN2509
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 34-37; R:34-37
• Safety Statements: 26-36/37/39-45; S:26-45-36/37/39
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-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 P3 (EN 143) respirator cartridges
• RID/ADR: UN 2509 8/PG 2

Product Information

• Purity: ≥98.0%; ≥98.0% (T); ≥99%; ≥99.0% (T); ≥99.99% trace metals basis; ≥99.995% (metals basis); 97%; 98-102%
• Grade: for trace analysis; JIS special grade; puriss.; puriss. p.a.; purum p.a.; reagent grade; SAJ first grade; TraceSELECT®
• Impurities: ≤0.001% total nitrogen (N); ≤0.002% ammonium (NH4); ≤0.002% heavy metals (as Pb); ≤10 mg/kg total nitrogen (N); insoluble matter, passes filter test
• Cation Traces: Ag: ≤5 mg/kg; Al: ≤0.1 mg/kg; Al: ≤10 mg/kg; Al: ≤20 mg/kg; As: ≤0.01 mg/kg; As: ≤0.1 mg/kg; As: ≤0.5 mg/kg; Ba: ≤0.5 mg/kg; Ba: ≤5 mg/kg; Be: ≤0.01 mg/kg; Bi: ≤5 mg/kg; Ca: ≤20 mg/kg; Ca: ≤200 mg/kg; Ca: ≤5 mg/kg; Ca: ≤50 mg/kg; Cd: ≤0.01 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Ce: ≤0.05 mg/kg; Co: ≤0.01 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤0.5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.02 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Dy: ≤0.01 mg/kg; Er: ≤0.01 mg/kg; Eu: ≤0.01 mg/kg; Fe: ≤1 mg/kg; Fe: ≤20 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; Ga: ≤0.05 mg/kg; Gd: ≤0.01 mg/kg; Hg: ≤0.005 mg/kg; Ho: ≤0.01 mg/kg; In: ≤0.01 mg/kg; La: ≤0.01 mg/kg; Li: ≤0.2 mg/kg; Li: ≤5 mg/kg; Lu: ≤0.01 mg/kg; Mg: ≤1 mg/kg; Mg: ≤5 mg/kg; Mn: ≤0.02 mg/kg; Mn: ≤5 mg/kg; Mo: ≤0.05 mg/kg; Mo: ≤5 mg/kg; Na: ≤100 mg/kg; Na: ≤5 mg/kg; Na: ≤50 mg/kg; Nd: ≤0.05 mg/kg; Ni: ≤1 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.05 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Pr: ≤0.01 mg/kg; Sc: ≤0.05 mg/kg; Sm: ≤0.01 mg/kg; Sr: ≤10 mg/kg; Sr: ≤20 mg/kg; Sr: ≤5 mg/kg; Tb: ≤0.01 mg/kg; Th: ≤0.01 mg/kg; Ti: ≤0.05 mg/kg; Tl: ≤0.02 mg/kg; Tl: ≤5 mg/kg; Tm: ≤0.01 mg/kg; U: ≤0.01 mg/kg; V: ≤0.01 mg/kg; Y: ≤0.01 mg/kg; Yb: ≤0.01 mg/kg; Zn: ≤0.1 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤10 mg/kg; phosphate (PO43-): ≤5 mg/kg
• λ: 1 M in H2O
• Product Line: BioUltra
• Acid Value: 35-37%(as H2SO4)
• Linear Formula: KHSO4

DETAILS

MP Biomedicals - 02156340

(Potassium bisulfate)

Sigma Aldrich - 401544

Packaging
10, 50 g in poly bottle

Sigma Aldrich - 60361

Other Notes
Reagent for the decomposition of basic metal oxides by fusion1,2

Sigma Aldrich - 60348

Legal Information
TraceSELECT is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 223476

Packaging
1 kg in poly bottle
500 g in poly bottle