potassium iminomethanide

• ChemBase ID: 129060
• Molecular Formular: CKN
• Molecular Mass: 65.1157
• Monoisotopic Mass: 64.96678069
• SMILES: [K+].[C-]#N
• Canonical SMILES: [C-]#N.[K+]
• InChI: InChI=1S/CN.K/c1-2;/q-1;+1
• InChIKey: NNFCIKHAZHQZJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium iminomethanide
• IUPAC Traditional name: potassium cyanide
• Synonyms: Potassium cyanide; Cyanide, standard solution, Specpure®, CN? 1000 g/ml; Potassium cyanide, ACS; Potassium cyanide; 氰化物, 标准溶液, Specpure®, CN? 1000μg/ml; 氰化钾, ACS; 氰化钾

Database IDs

• CAS Number: 151-50-8
• EC Number: 205-792-3
• MDL Number: MFCD00011397; MFCD00468042
• Beilstein Number: 4652394
• Merck Index: 147626
• PubChem SID: 162223360
• PubChem CID: 9032
• Chemspider ID: 8681
• Unique Ingredient Identifier: MQD255M2ZO
• Wikipedia Title: Potassium_cyanide

CALCULATED PROPERTIES

• Acid pKa: 9.5
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.34610683
• LogD (pH = 7.4): -0.33904728
• Log P: -0.34619832
• Molar Refractivity: 15.8149 cm^3
• Polarizability: 2.6105857 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.57 g/100mL in ethanol; 14.6 g/100 mL in formamide; 4.91 g/100 mL (20 °C) in methanol; 41 g/100 mL in hydroxylamine; 71.6 g/100 ml (25 °C) ; 100 g/100 mL (100 °C) in water; soluble in glycerol
• Apperance: Granular; Liquid; White crystalline solid ; deliquescent
• Melting Point: 634.5°C; 634°C
• Boiling Point: 1625°C; 1625°C
• Flash Point: Non-flammable
• Density: 1.52; 1.52 g/cm^3
• Refractive Index: 1.410
• pKa: 11.0
• Odor: faint, almond-like
• Std enthalpy of formation: −131.5 kJ/mol
• Std molar entropy: 127.8 J K^−1 mol^−1

Safety Information

• Storage Warning: Hygroscopic
• RTECS: TS8750000
• European Hazard Symbols: Dangerous for the environment (N); Nature polluting (N); Highly toxic (T+); Very toxic (T+); X
• UN Number: 1680; UN1680
• Hazard Class: 6.1
• Packing Group: I
• Risk Statements: 20/21/22; 26/27/28-32-50/53; R26/27/28, R32, R50/53
• Safety Statements: 7-28-29-45-60-61; 9-36/37; S1/2, S7, S28, S29, S45, S60, S61
• TSCA Listed: 是
• EU Index: 006-007-00-5
• GHS Pictograms: GHS06; GHS09
• NFPA704:
  

  0

  4

  0
• LD50: 5–10 mg/kg (oral in rats, mice, rabbits)
• GHS Hazard statements: H300-H310-H330-H400-H410; H301-H311-H332
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A; P261-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 96.0% min; 97+%

REFERENCES

• For crown-ether promoted cyanation reactions and formation of a 1:1 crown-ether complex, see 18-Crown-6, A11249. For cyanation of alkyl halides using phase-transfer catalysis without solvent, see: Bull. Soc. Chim. Fr., 124 (1986). See also Sodium cyanide, L13278.