structure of 3-Vinylbicyclo[4.2.0]octa-1,3,5-triene

3-Vinylbicyclo[4.2.0]octa-1,3,5-triene

CAS No.: 99717-87-0
M. Wt: 130.186
M. Fa: C10H10
InChI Key: DTGDMPJDZKDHEP-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of 3-Vinylbicyclo[4.2.0]octa-1,3,5-triene

CAS Number

99717-87-0

EC Number

663-548-5

MDL Number

MFCD09834065

IUPAC Name

3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene

InChI

InChI=1S/C10H10/c1-2-8-3-4-9-5-6-10(9)7-8/h2-4,7H,1,5-6H2

InChIKey

DTGDMPJDZKDHEP-UHFFFAOYSA-N

Canonical SMILES

C=CC1=CC2=C(CC2)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 3-Vinylbicyclo[4.2.0]octa-1,3,5-triene

Boiling Point

225.3±30.0 °C at 760 mmHg

Density

1.0±0.1 g/cm3

Exact Mass

130.078247

Flash Point

83.7±13.1 °C

Index of Refraction

1.624

LogP

3.26

Molecular Formula

C10H10

Molecular Weight

130.186

Storage condition

2-8°C

Vapour Pressure

0.1±0.2 mmHg at 25°C

Safety Information of 3-Vinylbicyclo[4.2.0]octa-1,3,5-triene

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 3-Vinylbicyclo[4.2.0]octa-1,3,5-triene

The unique structure of 3-vinylbicyclo[4.2.0]octa-1,3,5-triene makes it valuable in several applications:

  • Material Science: It is used in the development of advanced materials due to its ability to form cross-linked networks upon polymerization.
  • Organic Synthesis: The compound serves as an important building block in organic synthesis for producing more complex molecules.
  • Chemical Sensors: Its reactivity allows it to be utilized in sensor technologies for detecting specific chemical species.

Interaction Studies of 3-Vinylbicyclo[4.2.0]octa-1,3,5-triene

Interaction studies involving 3-vinylbicyclo[4.2.0]octa-1,3,5-triene have focused on its behavior in various chemical environments and with other reagents:

  • Reactivity with Electrophiles: The vinyl group makes the compound susceptible to electrophilic attack, which can lead to various substitution reactions.
  • Stability Studies: Investigations into the thermal stability and degradation pathways of this compound reveal insights into its potential applications in high-temperature environments.

Biological Activity of 3-Vinylbicyclo[4.2.0]octa-1,3,5-triene

While specific biological activity data for 3-vinylbicyclo[4.2.0]octa-1,3,5-triene may be limited, compounds with similar structures often exhibit interesting biological properties. Research into related bicyclic compounds suggests potential applications in medicinal chemistry, including anticancer and antimicrobial activities. Further studies are needed to elucidate the specific biological effects of this compound.

Physical sample testing spectrum (NMR) of 3-Vinylbicyclo[4.2.0]octa-1,3,5-triene

Physical sample testing spectrum (NMR) of 3-Vinylbicyclo[4.2.0]octa-1,3,5-triene

Retrosynthesis analysis of 3-Vinylbicyclo[4.2.0]octa-1,3,5-triene

  • Route#1

    Cas:112892-88-3
    Cas:1779-49-3
    Cas:99717-87-0

  • Route#2

    Cas:112892-88-3
    Cas:99717-87-0

  • Route#3

    Cas:1073-39-8
    Cas:99717-87-0