chempirical

Titanocene dichloride

C10H10Cl2TiCAS 1271-19-8248.96 g/mol

Open in Covalent MOL file
Cl−Cl−Ti4+HC−HC−

Properties

Molecular formula
C10H10Cl2Ti
Molar mass
248.96 g/mol
Exact mass
247.9639 Da
Density
1.6 g/mL
Melting point
289 °C
Boiling point
138–140 °C (at 1 Torr)
logP
-3.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1271-19-8
SMILES
[Cl-].[Cl-].[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIKey
YMNCCEXICREQQV-UHFFFAOYSA-L
InChI
InChI=1S/2C5H5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2

Weigh it out

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

Names and synonyms

18 names · show all
  • Titanium, dichlorobis(η5-2,4-cyclopentadien-1-yl)-
  • Titanium, dichlorodi-π-cyclopentadienyl-
  • Dicyclopentadienyltitanium(IV) dichloride
  • Dichlorobis(η5-2,4-cyclopentadien-1-yl)titanium
  • Bis(cyclopentadienyl)titanium dichloride
  • Dicyclopentadienyltitanium dichloride
  • Dichlorodicyclopentadienyltitanium
  • Bis(π-cyclopentadienyl)titanium dichloride
  • Dichlorodi-π-cyclopentadienyltitanium
  • Dichlorotitanocene
  • Dicyclopentadienyldichlorotitanium
  • Dichlorobis(π-cyclopentadienyl)titanium
  • Bis(η5-cyclopentadienyl)titanium dichloride
  • Dichlorobis(η5-cyclopentadienyl)titanium
  • Dichlorobis(cyclopentadienyl)titanium
  • Dichlorobis(1,3-cyclopentadiene)titanium
  • Bis(cyclopentadienyl)dichlorotitanium
  • NSC 78453

Work with Titanocene dichloride

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

Similar compounds

(Cyclopentadienyl)titanium trichloride1270-98-0100 % similar Vanadocene dichloride12083-48-665 % similar Hafnocene dichloride12116-66-465 % similar Petasis reagent1271-66-565 % similar Zirconocene dichloride1291-32-365 % similar (Cyclopentadienyl)zirconium trichloride34767-44-765 % similar Schwartz'S reagent37342-97-565 % similar Ferrocene102-54-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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