cobalt(3+) ion trisodium hexakis(dioxoamine)

• ChemBase ID: 105865
• Molecular Formular: CoH6N6Na3O12++++++
• Molecular Mass: 409.98315
• Monoisotopic Mass: 409.90687251
• SMILES: [Na+].[Na+].[Na+].[Co+3].[O-][NH+]=O.[O-][NH+]=O.[O-][NH+]=O.[O-][NH+]=O.[O-][NH+]=O.[O-][NH+]=O
• Canonical SMILES: [O-][NH+]=O.[O-][NH+]=O.[O-][NH+]=O.[O-][NH+]=O.[O-][NH+]=O.[O-][NH+]=O.[Na+].[Na+].[Na+].[Co+3]
• InChI: InChI=1S/Co.6HNO2.3Na/c;6*2-1-3;;;/h;6*1H;;;/q+3;;;;;;;3*+1
• InChIKey: QLNJFTGEDYRKNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(3+) ion trisodium hexakis(dioxoamine)
• IUPAC Traditional name: cobalt(3+) tripotassium hexakis(nitrol)
• Synonyms: Sodium hexanitritocobaltate[III]; SODIUM COBALTINITRITE ACS REAGENT GRADE

Database IDs

• CAS Number: 13600-98-1
• EC Number: 237-077-7
• PubChem SID: 162092676
• PubChem CID: 44134942

CALCULATED PROPERTIES

• Acid pKa: 3.3200002
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8028829
• LogD (pH = 7.4): -2.2017875
• Log P: 0.16613764
• Molar Refractivity: 8.7217 cm^3
• Polarizability: 2.589894 Å^3
• Polar Surface Area: 49.66 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <= 1493 - 1495 °C
• Boiling Point: <= 2900 °C at 1000 hPa
• Density: <= 8.85 - 8.9 g/cm^3 at 20 °C
• Vapor Pressure: ca. .00007 hPa at 1050 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: GF9480000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 1318
• Hazard Class: 4.1
• Packing Group: III
• Australian Hazchem: 1Z
• Risk Statements: R:40-42/43-68
• Safety Statements: S:22-29-36/37/39-46-53
• EU Classification: F1
• EU Hazard Identification Number: 4.1B
• Emergency Response Guidebook(ERG) Number: 133

Product Information

• Grade: ACS; REAGENT

DETAILS

MP Biomedicals - 02194867

ACS Reagent Grade