Nickelocene

C10H10NiCAS 1271-28-9188.88 g/mol

Open in Covalent MOL file
Ni2+HC−HC−

Properties

Molecular formula
C10H10Ni
Molar mass
188.88 g/mol
Exact mass
188.0136 Da
Melting point
172–173 °C (decomposes)
Flash point
3.9 °C
Water solubility
insoluble
logP
2.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P240, P241, P261, P264, P270, P272, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P370+P378, P405, P501

Identifiers

CAS number
1271-28-9
SMILES
[Ni+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIKey
KZPXREABEBSAQM-UHFFFAOYSA-N
InChI
InChI=1S/2C5H5.Ni/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Nickel, di-π-cyclopentadienyl-
  • Nickel, dicyclopentadienyl-
  • Di-π-cyclopentadienylnickel
  • Dicyclopentadienylnickel
  • Nickel, bis(η5-2,4-cyclopentadien-1-yl)-
  • Bis(η5-2,4-cyclopentadien-1-yl)nickel
  • Bis(cyclopentadienyl)nickel(II)
  • Bis(η5-cyclopentadienyl)nickel

Work with Nickelocene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ferrocene102-54-5Salt Chromocene1271-24-5Salt Cobaltocene1277-43-6Salt Magnesocene1284-72-6Salt N,N-Dimethylaminomethylferrocene1271-86-9Salt Sodium cyclopentadienide4984-82-1Salt [(1S)-1-(Dimethylamino)ethyl]ferrocene31886-57-4Salt [(1R)-1-(Dimethylamino)ethyl]ferrocene31886-58-5Salt Tris(η5-2,4-cyclopentadien-1-yl)ytterbium1295-20-1Salt

Similar compounds

Ruthenocene1287-13-457 % similar Dichlorobis(eta5-2,4-cyclopentadien-1-yl)vanadium12083-48-647 % similar Hafnocene dichloride12116-66-447 % similar (Cyclopentadienyl)titanium trichloride1270-98-047 % similar Titanocene dichloride1271-19-847 % similar Petasis reagent1271-66-547 % similar Zirconocene dichloride1291-32-347 % similar (Cyclopentadienyl)zirconium trichloride34767-44-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia