cobalt(3+) ion hexaamine trinitrate

• ChemBase ID: 137844
• Molecular Formular: CoH18N9O9
• Molecular Mass: 347.13102
• Monoisotopic Mass: 347.0559432
• SMILES: N.N.N.N.N.N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Co+3]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].N.N.N.N.N.N.[Co+3]
• InChI: InChI=1S/Co.3NO3.6H3N/c;3*2-1(3)4;;;;;;/h;;;;6*1H3/q+3;3*-1
• InChIKey: PYJCKRIHWNYBPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(3+) ion hexaamine trinitrate
• IUPAC Traditional name: cobalt(3+) ion hexaamine trinitrate
• Synonyms: Hexaamminecobalt(III) nitrate; 硝酸化钴六胺络合物; 六氨合钴(III)硝酸盐

Database IDs

• CAS Number: 10534-86-8
• MDL Number: MFCD00061421
• PubChem SID: 162232105; 24877681
• PubChem CID: 14228785

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• Molar Refractivity: 8.3471 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 66.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder; solid
• Melting Point: 300-304.2 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.804

Safety Information

• European Hazard Symbols: Oxidising (O); X; Irritant (Xi)
• UN Number: UN1477
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: II
• Risk Statements: 36/37/38; 8-40-43
• Safety Statements: 17-36/37; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H272-H351-H317; H315-H319-H335
• GHS Precautionary statements: P221-P210-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.999%
• Linear Formula: [Co(NH3)6](NO3)3