λ2-cobalt(2+) ion bis(cyclopenta-2,4-dien-1-ide)

• ChemBase ID: 126655
• Molecular Formular: C10H10Co
• Molecular Mass: 189.1196
• Monoisotopic Mass: 189.01144532
• SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Co+2]
• Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Co+2]
• InChI: InChI=1S/2C5H5.Co/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
• InChIKey: ILZSSCVGGYJLOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-cobalt(2+) ion bis(cyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: λ^2-cobalt(2+) ion bis(cyclopentadienide)
• Synonyms: Cp₂Co; Cobaltocene; Bis(cyclopentadienyl)cobalt(II); 双(环戊二烯)钴(II)

Database IDs

• CAS Number: 1277-43-6
• EC Number: 215-061-0
• MDL Number: MFCD00013749
• PubChem SID: 162220985; 24860617
• PubChem CID: 92884
• CHEBI ID: 30678
• Chemspider ID: 83848
• Wikipedia Title: Cobaltocene

CALCULATED PROPERTIES

• Acid pKa: 16.226988
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.499
• LogD (pH = 7.4): 1.499
• Log P: 2.248
• Molar Refractivity: 21.715 cm^3
• Polarizability: 8.791516 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: not soluble in water
• Apperance: powder or crystals; solid
• Melting Point: 176-180 °C (dec.)(lit.)
• Std enthalpy of combustion: -5839 kJ/mol
• Std enthalpy of formation: +237 kJ/mol (uncertain)
• Std molar entropy: 236 J.K^−1.mol^−1

Safety Information

• RTECS: GG0350000
• European Hazard Symbols: Flammable (F); Irritant (Xi); Harmful (Xn)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 3
• Risk Statements: 11-40-42/43-68; R10, R36/37/38
• Safety Statements: 7/9-16-22-33-36/37; S9, S16, S26, S33, S37/39
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  2

  1

  0
• GHS Hazard statements: H228-H317-H334-H341-H351
• GHS Precautionary statements: P210-P261-P280-P342 + P311
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: Co(C5H5)2

DETAILS

Sigma Aldrich - 339164

Packaging
2, 10 g in glass bottle