Cobalt,4-cyclopentadien-1-yl)-
Basic information
- CAS
1277-43-6- Standard SMILES
[Co].[c-]1[c-][c-][cH-][c-]1.[c-]1[c-][c-][cH-][c-]1- InChIKey
ZCQCTXMXLAKEMS-UHFFFAOYSA-N- Molecular formula
- C10H2Co-10
- Average molar mass
- 181.06 g/mol
- Monoisotopic mass
- 180.948844
Names & identifiers
- Preferred name
- Cobalt,4-cyclopentadien-1-yl)-
- IUPAC
- cobalt;bis(cyclopenta-1,3-diene)
- English name
- Bis(cyclopentadienyl)cobalt
- Molecular formula
- C10H10Co10*
- Molecular weight
- 189.12
Names & synonyms
Cobalt,4-cyclopentadien-1-yl)-NSC62690WLN: L50J 0-CO-- 0L50JE79045COBALTOCENEBIS(CYCLOPENTADIENYL)COBALT(II)Bis(cyclopentadienyl)cobalt(II),min.98%(Cobaltocene)toceneKobaltocenCobaltocene,98%Ferrocene cobaltcobaltocene(1277-43-6)
Show more names
DicyclopentadienylcobaltBiscyclopentadienylcobal
Database identifiers
- CAS
1277-43-6- PubChem CID
- 414690
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- -10
- Complexity
- 143
Physicochemical properties
- Melting point
- 176 · 176-180 °C (dec.)(lit.)
- Boiling point
- 173 ℃ · 173℃ [CRC10]
- storage temp.
- 2 · 2-8°C
- form
- crystal
- color
- purplish-black
- Water Solubility
- Insoluble in water.
- Sensitive
- Air & Moisture Sensitive
- Stability
- Stable, but very reactive and air and moisture sensitive - store under inert gas. Incompatible with strong oxidizing agents. Highly flammable.
- InChI
- InChI=1S/2C5H5.Co/c2*1-2-4-5-3-1;/h2*1-5H;
- InChIKey
- PXFGMRZPRDJDEK-UHFFFAOYSA-N
- SMILES
- [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Co] |^1:0,1,2,3,4,5,6,7,8,9|
- CAS DataBase Reference
- 1277 · 1277-43-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 W7LGU89CV · 4W7LGU89CV
- EPA Substance Registry System
- Cobaltocene (1277-43-6)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GG0350000
- ridadr
- UN 1325 4.1/PG 3
- hs_code
- 29319090
- Toxicity
- mmo-sat 3333 mg/plate EMMUEG 19(Suppl 21),2,92
- risk_code
- 11-68-42/43-40
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- hazard_code
- F,Xn
- safety_code
- 16-33-7/9-36/37-22
- hazard_class
- 4.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- II
- Hazard statements
- H228-H317-H334-H341-H351
- Hazard Classifications
- Carc. 2Flam. Sol. 2Muta. 2Resp. Sens. 1Skin Sens. 1
- Precautionary statements
- P201-P210-P280-P302+P352-P308+P313
Chemistry & industry
Applications
UsesPolymerization inhibitor of olefins up to 200C, Diels–Alder reaction, catalyst, paint drier, oxygen stripping agent.
UsesBis(cyclopentadienyl)cobalt is used to catalyze the preparation of pyridines from alkynes and nitriles. It acts as a polymerization inhibitor of olefins. It is a common one-electron reducing agent in the laboratory. It reacts with carbon monoxide to prepare cobalt(I) derivative, cyclopentadienylcobalt dicarbonyl. It also serves as an internal standard in cyclic voltametry. Further, it finds use in Diels-Alder reactions. In addition to this, it is used as a paint drier and as an oxygen stripping agent.
General DescriptionBlack-purple crystals or black solid. Sublimes at 104°F and 0.1 mm Hg.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionA metallocene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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