Product Description of Titanocene Dichloride CAS#1271-19-8 Titanocene dichloride, abbreviated widely as Cp₂TiCl₂ and defined by the formula (η⁵-C₅H₅)₂TiCl₂, falls into the class of organotitanium compounds. It serves as a versatile reagent within organometallic research and organic synthetic workflows. This material appears as a vivid red solid and will undergo gradual hydrolysis upon exposure to ambient air.
Unlike classic sandwich-structured metallocene molecules such as ferrocene, this substance adopts a tetrahedral coordination geometry. The titanium core is surrounded by four coordinating ligands to form this distinctive spatial arrangement. Moreover, its promising cytotoxic effects against tumor cells have driven research teams to evaluate it in clinical trials as a candidate chemotherapeutic drug.
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) |
Safety Information
| 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 serves as a highly efficient homogeneous catalyst in reactions such as olefin polymerization and hydrogenation. It can also be used in one-pot synthesis processes, for example, in the preparation of α-methylene-γ-butyrolactone from benzaldehyde and methyl bromoacrylate.
In addition, it functions as an effective hydrogenation catalyst and is primarily applied in polymerization and hydrogenation systems. Owing to its relatively low toxicity and biological activity, it has also been explored for use as an active substance in pharmaceutical applications.
