barium(2+) ion tetracyanoplatinumdiuide tetrahydrate

• ChemBase ID: 302912
• Molecular Formular: C4H8BaN4O4Pt
• Molecular Mass: 508.53572
• Monoisotopic Mass: 508.92459276
• SMILES: C(#N)[Pt-2](C#N)(C#N)C#N.O.O.O.O.[Ba+2]
• Canonical SMILES: N#C[Pt-2](C#N)(C#N)C#N.O.O.O.O.[Ba+2]
• InChI: InChI=1S/4CN.Ba.4H2O.Pt/c4*1-2;;;;;;/h;;;;;4*1H2;/q;;;;+2;;;;;-2
• InChIKey: ZHHJMFPFDMAKMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion tetracyanoplatinumdiuide tetrahydrate
• IUPAC Traditional name: barium(2+) ion tetracyanoplatinumdiuide tetrahydrate
• Synonyms: Barium platinocyanide; Barium cyanoplatinate(II); Barium tetracyanoplatinate(II) tetrahydrate; 四氰基铂酸钡(II) 四水合物

Database IDs

• CAS Number: 13755-32-3
• EC Number: 209-238-1
• MDL Number: MFCD00014183
• Merck Index: 14991

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.4096
• LogD (pH = 7.4): -0.4096
• Log P: -0.4096
• Molar Refractivity: 26.6224 cm^3
• Polarizability: 15.959178 Å^3
• Polar Surface Area: 95.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 100°C dec.
• Density: 3.05

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN1564
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 25-32-50/53
• Safety Statements: 28-36-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS09
• GHS Hazard statements: H300-H400-H410
• GHS Precautionary statements: P273-P264-P301+P310-P321-P405-P501A

Product Information

• Purity: Pt 38%