potassium tricyanomethanide

• ChemBase ID: 85012
• Molecular Formular: C4KN3
• Molecular Mass: 129.1612
• Monoisotopic Mass: 128.9729287
• SMILES: N#C[C-](C#N)C#N.[K+]
• Canonical SMILES: N#C[C-](C#N)C#N.[K+]
• InChI: InChI=1S/C4N3.K/c5-1-4(2-6)3-7;/q-1;+1
• InChIKey: ZKJPYQKGNUBNOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium tricyanomethanide
• IUPAC Traditional name: potassium tricyanomethanide; potassium ion tricyanomethanide
• Synonyms: Potassium tricyanomethanide; Potassium cyanoform; Potassium tricyanomethanide; 三氰基甲烷化钾

Database IDs

• CAS Number: 34171-69-2
• MDL Number: MFCD00058850
• PubChem SID: 162072128
• PubChem CID: 10964525

CALCULATED PROPERTIES

• Acid pKa: 0.8661701
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.02139
• LogD (pH = 7.4): -2.0217757
• Log P: -0.4225918
• Molar Refractivity: 21.4938 cm^3
• Polarizability: 7.58912 Å^3
• Polar Surface Area: 71.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• Storage Warning: Very Toxic
• European Hazard Symbols: Toxic (T)
• UN Number: UN3439
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 23/24/25
• Safety Statements: 4-9-20-27-36/37-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H300-H310-H330
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A