Titanocene dichloride - ≥97% , CAS No.1271-19-8

CAS: 1271-19-8 Cat. No.: T106759 Formula: C₁₀H₁₀Cl₂Ti Molecular Weight: 248.96 EC Number: 215-035-9 PubChem CID: 5284468

GRADE & PURITY ≥97%

Synonyms

Cp2TiCl2 | NCGC00091634-01 | bis(cyclopentadienyl)titanium(iv)dichloride | dicyclopenta-1,3-dien-1-yltitanium(2+) dichloride | Bis(cyclopentadienyl)titanium dichloride | SCHEMBL184055 | AKOS024437549 | BIS(CYCLOPENTA-1,3-DIEN-1-YL)TITANIUMBIS(YLIUM) DICHL

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Cp2TiCl2 | NCGC00091634-01 | bis(cyclopentadienyl)titanium(iv)dichloride | dicyclopenta-1,3-dien-1-yltitanium(2+) dichloride | Bis(cyclopentadienyl)titanium dichloride | SCHEMBL184055 | AKOS024437549 | BIS(CYCLOPENTA-1,3-DIEN-1-YL)TITANIUMBIS(YLIUM) DICHL

Specifications & Purity

≥97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

504763490

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763490

Canonical Smiles

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

IUPAC Name

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

InChIKey

JAGHDVYKBYUAFD-UHFFFAOYSA-L

INCHI

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

Isomeric SMILES

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

WGK Germany

3

RTECS

XR2050000

PubChem CID

5284468

UN Number

3261

Packing Group

I

Molecular Weight

248.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Organic transition metal salts Organic metal halides Unsaturated aliphatic hydrocarbons Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Organic metal halide - Organic transition metal salt - Cycloalkene - Unsaturated aliphatic hydrocarbon - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic cation - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in Alcohol,Chloroform,Toluene; Very slightly soluble in Benzene,Ether
• Sensitivity: Moisture & Air Sensitive
• Melt Point(°C): 289-291°C
• Molecular Weight: 248.960 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 247.964 Da
• Monoisotopic Mass: 247.964 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 163.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1271-19-8, the molecular formula is C10H10Cl2Ti, and the molecular weight is 248.96 g/mol. InChIKey JAGHDVYKBYUAFD-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.