80939-31-7

Basic information

• Product Name: 1,1-Dimethyl-1,2,3,3a,4,5-hexahydro-pentalene-2-carbonitrile
• CAS NO: 80939-31-7
• Molecular Weight: 161.247
• Mol File: 80939-31-7.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 1,1-Dimethyl-1,2,3,3a,4,5-hexahydro-pentalene-2-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1-Dimethyl-1,2,3,3a,4,5-hexahydro-pentalene-2-carbonitrile(80939-31-7)
• EPA Substance Registry System: 1,1-Dimethyl-1,2,3,3a,4,5-hexahydro-pentalene-2-carbonitrile(80939-31-7)

Safety Data

• Hazardous Substances Data: 80939-31-7(Hazardous Substances Data)

Upstream product

• 72447-89-3 5-isopropylidenebicyclo<2.1.0>pentane 
• 107-13-1 acrylonitrile 
• 32553-01-8 2-isopropylidenecyclopentane-1,3-diyl biradical 
• 31689-32-4 7-isopropylidene-2,3-diaza-bicyclo[2.2.1]hept-2-ene 

Relevant articles and documents

Direct Measurements of the Absolute Rates of Dimerization and Capture of the 2-Isopropylidenecyclopenta-1,3-diyl Species by Electron Paramagnetic Resonance Spectroscopy

The dissapearance of the triplet electron paramagnetic resonance (EPR) signal of 2-isopropylidenecyclopenta-1,3-diyl in a propanolic medium at 143.6 K is a second-order reaction.Its rate can be measured with an accuracy of about 50percent by EPR spectroscopy and is found to be approximately 0.13 times the diffusion-controlled encounter frequency.This is too fast to permit the mechanism to be a combination of the diyl singlet with the triplet and is consistent with a triplet-triplet dimerization.The rates of cycloaddition of the triplet diyl to olefins also can be measured by EPR techniques are best interpreted as the result of a stepwise triplet plus olefin reaction, in which the two new bonds of the cycloadduct are formed sequentially rather then simultaneously.

Identification of a biradical as the Reactive Form of the 2-Isopropylidenecyclopentane-1,3-diyl Singlet Species

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