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