tetrapotassium octacyanomolybdenumtetrauide hydrate

• ChemBase ID: 134543
• Molecular Formular: C8H2K4MoN8O
• Molecular Mass: 478.50768
• Monoisotopic Mass: 479.79539144
• SMILES: C(#N)[Mo-4](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.[K+].[K+].[K+].[K+]
• Canonical SMILES: N#C[Mo-4](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.[K+].[K+].[K+].[K+]
• InChI: InChI=1S/8CN.4K.Mo.H2O/c8*1-2;;;;;;/h;;;;;;;;;;;;;1H2/q;;;;;;;;4*+1;-4
• InChIKey: BCMBHMTUNVBLHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapotassium octacyanomolybdenumtetrauide hydrate
• IUPAC Traditional name: tetrapotassium octacyanomolybdate(4-) hydrate
• Synonyms: Potassium octacyanomolybdate(IV) hydrate; 八氰基钼(IV)酸钾 水合物

Database IDs

• MDL Number: MFCD04039941
• PubChem SID: 162228819; 24880799
• PubChem CID: 71308809

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): -0.8792
• LogD (pH = 7.4): -0.8792
• Log P: -0.8792
• Molar Refractivity: 53.2448 cm^3
• Polarizability: 21.197468 Å^3
• Polar Surface Area: 190.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: >300 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 99.99% trace metals basis
• Linear Formula: K4Mo(CN)8 · xH2O