CAS 1271-19-8 Bis(cyclopentadienyl)titanium dichloride, 99+% (Titanocene dichloride)

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Bis(cyclopentadienyl)titanium dichloride, 99+% (Titanocene dichloride)

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Catalog Number

ACM1271198-3

CAS Number

1271-19-8

Product Name

Bis(cyclopentadienyl)titanium dichloride, 99+% (Titanocene dichloride)

Structure

Category

Polymerization Reagents

Synonyms

TPC-I031; AKOS024437549; CTK3J4362; DSSTox_CID_1354; CAS-1271-19-8; ANW-41396; DTXSID3021354; RTR-003913; KSC494G6F; SCHEMBL184055;

IUPAC Name

cyclopenta-1,3-diene;titanium(4+);dichloride;

Molecular Weight

248.957g/mol

Molecular Formula

C10H10Cl2Ti;

Canonical SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4];

InChI

InChI=1S/2C5H5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+4/p-2;

InChI Key

JAGHDVYKBYUAFD-UHFFFAOYSA-L;

Melting Point

552 ° F (NTP, 1992);

Density

1.6 (NTP, 1992);

Solubility

Decomposes (NTP, 1992);

Application

Bis(cyclopentadienyl)titanium dichloride, commonly known as titanocene dichloride, serves multiple important purposes across various fields of research and industry. Notably, it acts as a precursor catalyst in organometallic and organic synthesis, facilitating the reduction and deoxygenation of esters, alcohols, and hydroxylamines, while also catalyzing reactions such as the radical cyclization of epoxides and silylation of alkenes and alkynes. This organotitanium compound, with its distinct tetrahedral structure, is integral to Ziegler-Natta polymerization reactions and the conversion of enynes to bicyclic cyclopentenones. Beyond its role in synthesis, titanocene dichloride has been explored as an anticancer drug due to its activity in clinical trials, where it demonstrated potential in treating cisplatin-resistant cancer cells. Furthermore, it has applications in developing advanced materials for use in orthopedics, oral surgery, and neurosurgery. Despite its chemical stability in dry air, titanocene dichloride requires careful handling due to its irritation potential and its slow hydrolysis in moist environments.

Complexity

163

Covalently-Bonded Unit Count

EC Number

215-035-9

Exact Mass

247.964g/mol

Heavy Atom Count

Monoisotopic Mass

247.964g/mol

Topological Polar Surface Area

0A^2