Product Name

  • Name

    Titanocene

  • EINECS
  • CAS No. 1271-29-0
  • Article Data5
  • CAS DataBase
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C10H10 Ti
  • Boiling Point 41.5°Cat760mmHg
  • Molecular Weight 178.069
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by intramuscular route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also TITANIUM COMPOUNDS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1271-29-0 (Titanocene)
  • Hazard Symbols
  • Synonyms Titanium,di-p-cyclopentadienyl- (8CI);Titanium, dicyclopentadienyl- (6CI,7CI); Bis(h5-cyclopentadienyl)titanium;Dicyclopentadienyltitanium
  • PSA 0.00000
  • LogP 2.04300

Titanocene Chemical Properties

Product Name: Titanocene (CAS NO.1271-29-0)


Molecular Formula: C10H10Ti
Molecular Weight: 178.10g/mol
Mol File: 1271-29-0.mol
Boiling point: 41.5 °C at 760 mmHg
Enthalpy of Vaporization: 27.4 kJ/mol
Vapour Pressure:  418 mmHg at 25°C 
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Titanocene (CAS NO.1271-29-0):
  IUPAC Name: cyclopenta-1,3-diene; titanium(2+)
  Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti+2]
  InChI: InChI=1S/2C5H5.Ti/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2 
  InChIKey: PESYEWKSBIWTAK-UHFFFAOYSA-N

Titanocene Toxicity Data With Reference

1.    

ims-rat LDLo:50 mg/kg

    NCIUS*    Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by the Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) PH-43-64-886 .
2.    

ims-ham LDLo:83 mg/kg

    NCIUS*    Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by the Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) PH-43-64-886 .

Titanocene Safety Profile

Poison by intramuscular route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also TITANIUM COMPOUNDS.

Titanocene Specification

 Titanocene ,its CAS NO. is 1271-29-0,the synonyms is Dicyclopentadienyltitanium ; Titanium dicyclopentadienyl- ; Titanium, di-pi-cyclopentadienyl- .

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