Product Details
Product Description of Titanocene Dichloride CAS#1271-19-8
Titanocene dichloride, whose chemical formula is (η⁵-C₅H₅)₂TiCl₂ (commonly shortened to Cp₂TiCl₂), is an organotitanium compound that is widely applied as a reagent in the fields of organometallic chemistry and organic synthesis. It presents as a vivid red solid and undergoes gradual hydrolysis upon exposure to air.
In contrast to common metallocenes like ferrocene, Cp₂TiCl₂ does not form a sandwich structure. Instead, its four ligands coordinate around the titanium core to form a tetrahedral spatial configuration. Furthermore, due to its proven antitumor activity, this compound has been tested in clinical trials as a potential candidate for chemotherapy treatments.
Titanocene dichloride Chemical Properties
| Melting point | 260-280 °C (dec.)(lit.) |
| Boiling point | 355.52°C (estimate) |
| density | 1.6 g/mL at 25 °C(lit.) |
| vapor pressure | 0.002Pa at 25℃ |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | slightly soluble in H2O, benzene; soluble in chloroform,ethanol, toluene |
| form | crystal |
| color | red |
| Specific Gravity | 1.6 |
| Water Solubility | slow decomposition |
| Sensitive | Air & Moisture Sensitive |
| Hydrolytic Sensitivity | 4: no reaction with water under neutral conditions |
| Merck | 149482 |
| Stability: | Stable. Incompatible with strong oxidizing agents. Decomposes in water. Moisture sensitive. |
| LogP | -1.35 at 20℃ |
| CAS DataBase Reference | 1271-19-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Titanocene dichloride(1271-19-8) |
| EPA Substance Registry System | Titanocene dichloride (1271-19-8) |
| Hazard Codes | Xi,T |
| Risk Statements | 37/38-61-40-34-33-36/37/38 |
| Safety Statements | 36-7/8-6A-45-36/37/39-26 |
| RIDADR | UN3261 |
| WGK Germany | 3 |
| RTECS | XR2050000 |
| F | 39742 |
| TSCA | Yes |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29310095 |
| Hazardous Substances Data | 1271-19-8(Hazardous Substances Data) |
| Toxicity | Titanocene dichloride may cause skin and mucous membrane irritation. The LD50 in mice has been reported as 60 mg/kg (i.p.) and 180 mg/kg (i.v.). In the rat, the LD50 is 25 mg/kg (i.p.). |
Product Application of Titanocene Dichloride CAS#1271-19-8
Titanocene dichloride acts as an efficient homogeneous catalyst in reactions including olefin polymerization and hydrogenation. It can also be employed in one-pot synthetic procedures, such as the synthesis of α-methylene-γ-butyrolactone starting from benzaldehyde and methyl bromoacrylate.
Furthermore, it acts as a capable hydrogenation catalyst and is mainly utilized in polymerization and hydrogenation reaction systems. Thanks to its moderate toxicity and biological activity, it has also been studied as an active ingredient for pharmaceutical uses.
