pentaazaniumyl(chloro)cobalttriuide dichloride

• ChemBase ID: 302978
• Molecular Formular: Cl3CoH15N5
• Molecular Mass: 250.4448
• Monoisotopic Mass: 248.97249855
• SMILES: [Co-3]([NH3+])([NH3+])([NH3+])(Cl)([NH3+])[NH3+].[Cl-].[Cl-]
• Canonical SMILES: Cl[Co-3]([NH3+])([NH3+])([NH3+])([NH3+])[NH3+].[Cl-].[Cl-]
• InChI: InChI=1S/3ClH.Co.5H3N/h3*1H;;5*1H3/q;;;+3;;;;;/p-3
• InChIKey: NSYALVBBDKTCLE-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: pentaazaniumyl(chloro)cobalttriuide dichloride
• IUPAC Traditional name: pentaammonio(chloro)cobalttriuide dichloride
• Synonyms: Pentaamminechlorocobalt(III) chloride; Chloropentaamminecobalt(III) chloride; 氯化五氨氯合钴(III)

Database IDs

• CAS Number: 13859-51-3
• EC Number: 237-594-8
• MDL Number: MFCD00064728

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 5
• LogD (pH = 5.5): -6.341185
• LogD (pH = 7.4): -3.437011
• Log P: -1.4595
• Molar Refractivity: 83.7108 cm^3
• Polarizability: 14.715104 Å^3
• Polar Surface Area: 138.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Slightly soluble in water, soluble in conc. H2SO4. Insoluble in alcohol
• Apperance: Powder
• Melting Point: dec.
• Density: 1.819

Safety Information

• European Hazard Symbols: X
• Risk Statements: 40-43
• Safety Statements: 24-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H351-H317
• GHS Precautionary statements: P280H-P262