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

CAS: 1271-19-8 Cat. No.: T106759 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

References

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