Description

Dicarbonyl(η⁵-2,4-cyclopentadien-1-yl)cobalt (CAS No. 12078-25-0) is a highly specialized organometallic compound with the molecular formula C₇H₁₀CoO₂. This air-sensitive, thermally stable complex features a cobalt center coordinated to a cyclopentadienyl (Cp) ligand and two carbonyl (CO) groups, making it a valuable precursor in catalysis and materials science. Its unique structure enables applications in organic synthesis, polymer chemistry, and as a catalyst in carbonylation reactions. Supplied as a dark crystalline solid or powder, it is rigorously packaged under inert gas to ensure stability and purity. Ideal for research laboratories and industrial processes requiring precise organometallic reagents.

Properties

• CAS Number: 12078-25-0
• Complexity: 21.6
• IUPAC Name: carbon monoxide;cobalt;cyclopentane
• InChI: InChI=1S/C5H10.2CO.Co/c1-2-4-5-3-1;2*1-2;/h1-5H2;;;
• InChI Key: VQSFFOIABPEUJE-UHFFFAOYSA-N
• Exact Mass: 185.001273
• Molecular Formula: C7H10CoO2
• Molecular Weight: 185.09
• SMILES: [C-]#[O+].[C-]#[O+].C1CCCC1.[Co]
• Topological: 2
• Monoisotopic Mass: 185.001273
• Synonyms: DTXCID901783266, EINECS 235-139-8, 235-139-8, 12078-25-0, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)cobalt, dtxsid401028443, Dicarbonylcyclopentadienyl Cobalt, SY070764

Dicarbonyl(η⁵-cyclopentadienyl)cobalt is widely used as a catalyst in organic transformations, particularly in carbonylation and cycloaddition reactions. It serves as a precursor for cobalt-based nanomaterials and thin films in advanced material synthesis. Researchers also employ it in mechanistic studies of organometallic reactivity due to its well-defined coordination geometry.

Safety and Hazards

GHS Hazard Statements

• H226 (98.5%): Flammable liquid and vapor [Warning Flammable liquids]
• H301+H311+H331 (57.4%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H310 (33.8%): Fatal in contact with skin [Danger Acute toxicity, dermal]
• H311 (58.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H317 (44.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H330 (33.8%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H331 (60.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H334 (94.1%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
• H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
• H351 (92.6%): Suspected of causing cancer [Warning Carcinogenicity]
• H412 (32.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P318, P320, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (98.5%)
• Acute Tox. 3 (100%)
• Acute Tox. 2 (33.8%)
• Acute Tox. 3 (58.8%)
• Skin Sens. 1 (44.1%)
• Acute Tox. 2 (33.8%)
• Acute Tox. 3 (60.3%)
• Resp. Sens. 1 (94.1%)
• Muta. 2 (100%)
• Carc. 2 (92.6%)
• Aquatic Chronic 3 (32.4%)

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