Basic information
- CAS
1271-28-9- Standard SMILES
[Ni+2].c1cc[cH-]c1.c1cc[cH-]c1- InChIKey
KZPXREABEBSAQM-UHFFFAOYSA-N- Molecular formula
- C10H10Ni
- Average molar mass
- 188.88 g/mol
- Monoisotopic mass
- 188.013592
Overview
Nickelocene can cause cancer according to California Labor Code.
Names & identifiers
- Preferred name
- Dtxcid001476808
- IUPAC
- bis(cyclopenta-1,3-diene);nickel(2+)
- English name
- Nickelocene
- Molecular formula
- C10H10Ni10*
- Molecular weight
- 188.88
Names & synonyms
SCHEMBL20484406DTXCID001476808Tox21_202527NCGC00260076-01CAS-1271-28-9D1574Nickelocene,99%BIS(CYCLOPENTADIENYL)NICKELdi(cyclopenta-1,3-dien-1-yl)nickelbis(B7NikelocenNickelocene
Show more names
Nickelocene>Nickelocene(NiCp2)nickelbiscyclopentadieneDI(CYCLOPENTADIENYL)NICKEL
Database identifiers
- CAS
1271-28-9- PubChem CID
- 13628993
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 53.3
Physicochemical properties
- Melting point
- 171 · 171-173 °C(lit.)
- storage temp.
- 2 · 2-8°C
- Water Solubility
- Insoluble in water
- form
- crystal
- color
- dark green
- Sensitive
- Air & Moisture Sensitive
- InChI
- 1S/2C5H5.Ni/c2*1-2-4-5-3-1;/h2*1-5H;
- InChIKey
- FOOKRXHSBKEWSE-UHFFFAOYSA-N
- SMILES
- [Ni].[CH]1[CH][CH][CH][CH]1.[CH]2[CH][CH][CH][CH]2
- REACH Annex XVII Substances List
- Bis(η5-2,4-cyclopentadien-1-yl)nickel (1271-28-9)
- CAS DataBase Reference
- 1271 · 1271-28-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 F745XV5 · JR8F745XV5
- Proposition 65 List
- Nickelocene
- NIST Chemistry Reference
- Nickelocene(1271-28-9)
- EPA Substance Registry System
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
- F
- 10-23
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QR6500000
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29319090
- Toxicity
- mouse,LD50,intraperitoneal,86mg/kg (86mg/kg),Proceedings of the Western Pharmacology Society. Vol. 11, Pg. 39, 1968.
- risk_code
- 49-11-22-43
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,T
- safety_code
- 53-36/37/39-45
- hazard_class
- 4.2
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- I
- Hazard statements
- H228-H302-H317-H350
- Hazard Classifications
- Acute Tox. 4 OralCarc. 1AFlam. Sol. 1Skin Sens. 1
- Precautionary statements
- P201-P210-P280-P301+P312+P330-P302+P352-P308+P313
Chemistry & industry
Applications
UsesCatalyst, complexing agent.
UsesNickelocene is obtained through reacting nickel halides with sodium cyclopentadienide. It is used as a catalyst or as a complexing agent.
UsesThis metal alkyl may be used to synthesize hybrid organic-inorganic polymeric molecular layer deposition (MLD). Bis(cyclopentadienyl) nickel (Cp 2 Ni) may be used as a Ni precursor for the atomic layer deposition (ALD) of NiO/carbon nanotubes hybrids.
General DescriptionDark liquid in an 8-10% solution in toluene. Insoluble in water.
Preparation methods
PreparationIt is obtained by reacting nickel chloride with potassium cyclopentadienyl chloride in liquid ammonia or with sodium cyclopentadienyl chloride in diethyl ether. It can also be prepared by reacting sodium cyclopentadienyl chloride with nickel dichloride in an ether solvent. Alternatively, it can be prepared by reacting sodium cyclopentadienyl chloride with nickel chloride, or by reacting cyclopentadiene with nickel chloride hexahydrate in dimethyl sulfoxide. To obtain a pure product, it can be purified with petroleum ether or by sublimation under vacuum at 130°C.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…