Cas no 120937-44-2 (DI-TERT-BUTYLCYCLOPENTADIENE)

DI-TERT-BUTYLCYCLOPENTADIENE is a substituted cyclopentadiene derivative featuring two tert-butyl groups, which enhance its steric and electronic properties. This compound is primarily utilized as a ligand precursor in organometallic chemistry and catalysis, where its bulky substituents promote stability and selectivity in metal complexes. Its high thermal stability and electron-donating characteristics make it valuable in the synthesis of specialized catalysts and polymers. Additionally, the tert-butyl groups improve solubility in organic solvents, facilitating handling in synthetic applications. The compound is particularly useful in the development of metallocene-based systems and as a building block for advanced materials research.
DI-TERT-BUTYLCYCLOPENTADIENE structure
DI-TERT-BUTYLCYCLOPENTADIENE structure
Product Name:DI-TERT-BUTYLCYCLOPENTADIENE
CAS No:120937-44-2
MF:C13H22
MW:178.313784122467
MDL:MFCD00674508
CID:133257
PubChem ID:57649256
Update Time:2025-06-07

DI-TERT-BUTYLCYCLOPENTADIENE Chemical and Physical Properties

Names and Identifiers

    • DI-TERT-BUTYLCYCLOPENTADIENE
    • di-tert-butylcyclopentadiene, mixture of isomers
    • 2,5-Bis(2-methyl-2-propanyl)-1,3-cyclopentadiene
    • 2,5-di-tert-butylcyclopenta-1,3-diene
    • 2,5-Di-tert-butyl-1,3-cyclopentadiene
    • 120937-44-2
    • J-004415
    • 2,5-ditert-butylcyclopenta-1,3-diene
    • Di-tert-butyl-1,3-cyclopentadiene
    • 114987-03-0
    • DTXSID70394029
    • MDL： MFCD00674508
    • Inchi： 1S/C13H22/c1-12(2,3)10-7-8-11(9-10)13(4,5)6/h7-10H,1-6H3
    • InChI Key： RADVPPBTEASJRZ-UHFFFAOYSA-N
    • SMILES： C(C)(C)(C)C1C=CC(=C1)C(C)(C)C

Computed Properties

  • Exact Mass: 178.17226
  • Monoisotopic Mass: 178.172150702g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.836?g/mL?at 20?°C(lit.)
  • Boiling Point: 216.4°C at 760 mmHg
  • Flash Point: Degrees Fahrenheit:48.2°F
    Degrees Celsius:9°C
  • Refractive Index: n20/D 1.467
  • PSA: 0
  • LogP: 4.19100

DI-TERT-BUTYLCYCLOPENTADIENE Security Information

DI-TERT-BUTYLCYCLOPENTADIENE Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
34655-5ML-F
DI-TERT-BUTYLCYCLOPENTADIENE
 120937-44-2 mixture of isomers, ≥95.0% (GC)
5ML
 2744.68 2021-05-17
SHENG KE LU SI SHENG WU JI SHU
sc-227760-5 ml
Di-tert-butylcyclopentadiene,
 120937-44-2
5 ml
 ￥2256.00 2023-09-05

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