bis(eta5-Cyclopentadienyl) titanium dichloride
Bis(cyclopentadienyl)titanium dichloride
CAS: 1271-19-8
Molecular Formula: C10H10Cl2Ti
bis(eta5-Cyclopentadienyl) titanium dichloride - Names and Identifiers
bis(eta5-Cyclopentadienyl) titanium dichloride - Physico-chemical Properties
| Molecular Formula | C10H10Cl2Ti |
| Molar Mass | 248.96 |
| Density | 1.6g/mLat 25°C(lit.) |
| Melting Point | 260-280°C (dec.)(lit.) |
| Boling Point | 355.52°C (estimate) |
| Water Solubility | slow decomposition |
| Vapor Presure | 0.002Pa at 25℃ |
| Appearance | crystal |
| Specific Gravity | 1.6 |
| Color | red |
| Merck | 14,9482 |
| Storage Condition | Inert atmosphere,Room Temperature |
| Stability | Stable. Incompatible with strong oxidizing agents. Decomposes in water. Moisture sensitive. |
| Sensitive | 4: no reaction with water under neutral conditions |
bis(eta5-Cyclopentadienyl) titanium dichloride - Risk and Safety
| Risk Codes | R37/38 - Irritating to respiratory system and skin. R61 - May cause harm to the unborn child R40 - Limited evidence of a carcinogenic effect R34 - Causes burns R33 - Danger of cumulative effects R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S36 - Wear suitable protective clothing. S7/8 - S6A - S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN3261 |
| WGK Germany | 3 |
| RTECS | XR2050000 |
| FLUKA BRAND F CODES | 8-10-21 |
| TSCA | Yes |
| HS Code | 29310095 |
| Hazard Class | 8 |
| Packing Group | II |
| 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.). |
bis(eta5-Cyclopentadienyl) titanium dichloride - Reference Information
| LogP | -1.35 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | titanocene dichloride is an organic titanium compound with the chemical formula (δ5-c5h5) 2TiCl2, often written as Cp2TiCl2. Such metallocenes are commonly used reagents in organometallic chemistry and organic synthesis. Its nature is bright red solid, in the air will be slow hydrolysis. Cp2TiCl2 does not form a "sandwich" structure like ferrocene, as its four ligands surround a metal center, forming a tetrahedral structure. Because of its anti-tumor activity, it has entered clinical trials as a chemotherapeutic drug. |
| Background | dicyclopentadiene titanium dichloride is mainly used as catalyst for olefin copolymerization and homopolymerization, as a catalyst for olefin homopolymerization, several units have been produced, and as a catalyst for SBS catalytic hydrogenation, its market demand is closely linked with the market demand of SBS catalytic hydrogenation to SEBS. |
| preparation | magnesium powder, anthracene and tetrahydrofuran solution were added under the protection of nitrogen, and a few drops of methyl iodide were added dropwise., A yellow-green liquid was obtained by stirring at a certain temperature. After completion, it was put into an ultrasonic oscillator and shaken for 4H to obtain an activated anthracene magnesium orange-yellow precipitate. Cyclopentadiene and a titanium tetrachloride solution were added dropwise at a temperature of 60 ° C., and after 20 minutes, the mixture was cooled to room temperature, filtered, and the residue was washed with dichloromethane. The filtrate after washing was combined with the filtrate and concentrated to an appropriate amount, and crystallized in an ice bath. Red Crystal of dicyclopentadiene titanium dichloride was obtained. The reported yield of this method is about 65%. |
| Application | is an efficient hydrogenation catalyst, mainly used in olefin polymerization and hydrogenation reaction, pharmaceutically, it can be used as an active substance with high efficiency and low toxicity for hydrogenation of styrene-butadiene block copolymer, and also for synthesis of α-γ-butyrolactone from benzaldehyde and bromomethacrylic acid. titanocene dichloride is an efficient homogeneous catalyst for olefin polymerization and hydrogenation, synthesis of α-methylene-γ-butyrolactone by one-pot method |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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An efficient hydrogenation catalyst, used in olefin polymerization and hydrogenation; an active substance used for hydrogenation of styrene butadiene block copolymers
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