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| CAS No.: | 1271-29-0 |
|---|---|
| Name: | Titanocene |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C10H10 Ti |
| Molecular Weight: | 178.069 |
| Synonyms: | Titanium,di-p-cyclopentadienyl- (8CI);Titanium, dicyclopentadienyl- (6CI,7CI); Bis(h5-cyclopentadienyl)titanium;Dicyclopentadienyltitanium |
| Density: | g/cm3 |
| Boiling Point: | 41.5°Cat760mmHg |
| Flash Point: | °C |
| 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. |
| PSA: | 0.00000 |
| LogP: | 2.04300 |
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Chemistry
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
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 . |
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.
Specification
Titanocene ,its CAS NO. is 1271-29-0,the synonyms is Dicyclopentadienyltitanium ; Titanium dicyclopentadienyl- ; Titanium, di-pi-cyclopentadienyl- .