Di-tert-butylcyclopentadiene

Base Information

• Chemical Name: Di-tert-butylcyclopentadiene
• CAS No.: 120937-44-2
• Molecular Formula: C13H22
• Molecular Weight: 178.31
• European Community (EC) Number: 625-647-1
• DSSTox Substance ID: DTXSID70394029
• Nikkaji Number: J1.010.643E
• Wikipedia: Di-tert-butylcyclopentadiene
• Mol file: 120937-44-2.mol

Synonyms:Di-tert-butylcyclopentadiene;120937-44-2;114987-03-0;DTXSID70394029;Di-tert-butyl-1,3-cyclopentadiene;MFCD00674508;2,5-di-tert-butylcyclopenta-1,3-diene;1,3-Di-tert-butyl-2,4-cyclopentadiene;2,5-Di-tert-butyl-1,3-cyclopentadiene;J-004415

Chemical Property of Di-tert-butylcyclopentadiene

Chemical Property:

• Vapor Pressure: 0.206mmHg at 25°C
• Refractive Index: n20/D 1.467
• Boiling Point: 216.4°C at 760 mmHg
• Flash Point: 9 °C
• PSA: 0.00000
• Density: 0.836 g/mL at 20 °C(lit.)
• LogP: 4.19100
• Storage Temp.: 2-8°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 178.172150702
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

Di-tert-butylcyclopentadiene mixture of isomers, ≥95.0% (GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1C=CC(=C1)C(C)(C)C
• Uses: Di-tert-butylcyclopentadiene may be used in the preparation of 2,5,4′,6′-tetra-tert-butyl-5′H-spirocyclopentane-1,2′-cyclopenta[b][1,3]diselena-2,4-diene and 1,3,5,7-tetra-tert-butyl-3a,7a-dihydro-3a,7a-epi-selenodicyclopenta[b,e][1,4]diselenine.