potassium dicyanocopperuide

• ChemBase ID: 150362
• Molecular Formular: C2CuKN2
• Molecular Mass: 154.6791
• Monoisotopic Mass: 153.89945219
• SMILES: C(#N)[Cu-]C#N.[K+]
• Canonical SMILES: N#C[Cu-]C#N.[K+]
• InChI: InChI=1S/2CN.Cu.K/c2*1-2;;/q;;-1;+1
• InChIKey: PACGVSFGQWSROQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium dicyanocopperuide
• IUPAC Traditional name: potassium dicyanocopperuide
• Synonyms: Potassium cyanocuprate(I); 亚铜氰化钾

Database IDs

• CAS Number: 127711-64-2
• MDL Number: MFCD00050426
• PubChem SID: 24870651; 162244523
• PubChem CID: 61666

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.0642
• LogD (pH = 7.4): -0.0642
• Log P: -0.0642
• Molar Refractivity: 13.3112 cm^3
• Polarizability: 7.641953 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: granular
• Melting Point: 290 °C(lit.)
• Density: 4 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Highly toxic (T+)
• UN Number: 1679
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 20/21-28-52/53
• Safety Statements: 22-36/37/39-45-61
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H312-H332
• GHS Precautionary statements: P264-P280-P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1679 6.1/PG 2