potassium cyanate

• ChemBase ID: 111040
• Molecular Formular: CKNO
• Molecular Mass: 81.1151
• Monoisotopic Mass: 80.96169531
• SMILES: [K+].[O-]C#N
• Canonical SMILES: [O-]C#N.[K+]
• InChI: InChI=1S/CHNO.K/c2-1-3;/h3H;/q;+1/p-1
• InChIKey: GKKCIDNWFBPDBW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium cyanate
• IUPAC Traditional name: potassium cyanate; potassium ion cyanate
• Synonyms: POTASSIUM CYANATE; Potassium cyanate; Potassium cyanate (technical grade); Potassium cyanate; 氰酸钾

Database IDs

• CAS Number: 590-28-3
• EC Number: 209-676-3
• MDL Number: MFCD00011411
• Beilstein Number: 3594798
• Merck Index: 147625
• PubChem SID: 24899177; 162097039; 24881806; 24852865
• PubChem CID: 11378442
• CHEBI ID: 38904
• Chemspider ID: 11053
• KEGG ID: C19067
• Wikipedia Title: Potassium_cyanate

CALCULATED PROPERTIES

• Acid pKa: -1.2948031
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.5371597
• LogD (pH = 7.4): -3.537228
• Log P: -0.53806055
• Molar Refractivity: 19.7705 cm^3
• Polarizability: 2.8882353 Å^3
• Polar Surface Area: 46.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 75 g/100 mL in water; Soluble in water. Slightly soluble in alcohol; very slightly soluble in alcohol
• Apperance: Crystalline; white, crystalline powder
• Melting Point: 315 °C; 315°C; 700-900°C dec.
• Boiling Point: ~ 700°C, decomp.
• Density: 2.056 g/cm^3; 2.056 g/mL at 25 °C(lit.); 2.056^2^0

Safety Information

• RTECS: GS6825000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22; R:22; R22
• Safety Statements: 24/25; S:24/25; S24, S25
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• LD50: 841 mg/kg (oral, rat)
• GHS Hazard statements: H301; H302
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (AT); 96%; 97%
• Grade: purum; technical; technical grade (COA not provided with product)
• Packaging: ampule of 1000 mg
• Quality: crystallized
• Linear Formula: KOCN

DETAILS

MP Biomedicals - 05217534

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 215074

Packaging
100, 500 g in poly bottle
2 kg in poly bottle