λ2-cobalt(2+) ion bis(2-(N-phenylcarboximidoyl)benzen-1-olate)

• ChemBase ID: 137829
• Molecular Formular: C26H20CoN2O2
• Molecular Mass: 451.3824
• Monoisotopic Mass: 451.08567289
• SMILES: c1ccc(cc1)/N=C/c1c(cccc1)[O-].c1ccc(cc1)/N=C/c1c(cccc1)[O-].[Co+2]
• Canonical SMILES: [O-]c1ccccc1/C=N/c1ccccc1.[O-]c1ccccc1/C=N/c1ccccc1.[Co+2]
• InChI: InChI=1S/2C13H11NO.Co/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;/h2*1-10,15H;/q;;+2/p-2
• InChIKey: LZZGBLDHHRNETH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-cobalt(2+) ion bis(2-(N-phenylcarboximidoyl)benzen-1-olate)
• IUPAC Traditional name: λ^2-cobalt(2+) ion bis(2-(N-phenylcarboximidoyl)benzenolate)
• Synonyms: N,N′-Bis(salicylidene)dianilinocobalt(II); N,N′-双(亚水杨基)二苯胺基钴(II)

Database IDs

• CAS Number: 37981-00-3
• PubChem SID: 162232090
• PubChem CID: 71310081

CALCULATED PROPERTIES

• Acid pKa: 8.833326
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.543593
• LogD (pH = 7.4): 3.528319
• Log P: 3.5439415
• Molar Refractivity: 73.9188 cm^3
• Polarizability: 22.82438 Å^3
• Polar Surface Area: 35.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192-194 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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): C26H22CoN2O2