cobalt(3+) ion bis(ethane-1,2-diamine) nitrate dinitrite

• ChemBase ID: 152890
• Molecular Formular: C4H16CoN7O7
• Molecular Mass: 333.14574
• Monoisotopic Mass: 333.04431589
• SMILES: C(CN)N.C(CN)N.N(=O)[O-].N(=O)[O-].[N+](=O)([O-])[O-].[Co+3]
• Canonical SMILES: [O-][N+](=O)[O-].NCCN.NCCN.[O-]N=O.[O-]N=O.[Co+3]
• InChI: InChI=1S/2C2H8N2.Co.NO3.2HNO2/c2*3-1-2-4;;2-1(3)4;2*2-1-3/h2*1-4H2;;;2*(H,2,3)/q;;+3;-1;;/p-2
• InChIKey: SXOWHZGOECKXMD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(3+) ion bis(ethane-1,2-diamine) nitrate dinitrite
• IUPAC Traditional name: cobalt(3+) ion bis(ethylenediamine) nitrate dinitrite
• Synonyms: trans-Dinitrobis(ethylenediamine)cobalt(III) nitrate; 反-二硝基二(乙烯二胺)钴(III)硝酸酯

Database IDs

• CAS Number: 14240-12-1
• MDL Number: MFCD04039952
• PubChem SID: 24880830; 162247033
• PubChem CID: 16217314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• Molar Refractivity: 17.8686 cm^3
• Polarizability: 7.4730473 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 253 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Empirical Formula (Hill Notation): C4H16CoN7O7

DETAILS

Sigma Aldrich - 575887

Packaging
5 g in glass bottle