3-Cyclohexene-1-carbonitrile
CAS No.:
100-45-8
M. Wt:
107.153
M. Fa:
C7H9N
InChI Key:
GYBNBQFUPDFFQX-UHFFFAOYSA-N
Appearance:
Colorless to Light orange to Yellow clear liquid
Names and Identifiers of 3-Cyclohexene-1-carbonitrile
CAS Number |
100-45-8 |
|---|---|
EC Number |
623-115-3 |
MDL Number |
MFCD00013778 |
IUPAC Name |
cyclohex-3-ene-1-carbonitrile |
InChI |
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2 |
InChIKey |
GYBNBQFUPDFFQX-UHFFFAOYSA-N |
Canonical SMILES |
C1CC(CC=C1)C#N |
UNII |
D65GN9AVCH |
UNSPSC Code |
12352100 |
Physical and chemical properties of 3-Cyclohexene-1-carbonitrile
Boiling Point |
200.9±29.0 °C at 760 mmHg |
|---|---|
Density |
0.9±0.1 g/cm3 |
Exact Mass |
107.073502 |
Flash Point |
65.8±17.1 °C |
Index of Refraction |
1.481 |
LogP |
1.30 |
Molecular Formula |
C7H9N |
Molecular Weight |
107.153 |
PSA |
23.79000 |
Storage condition |
Sealed in dry,Room Temperature |
Vapour Pressure |
0.3±0.4 mmHg at 25°C |
Water Solubility |
Insoluble in water |
Safety Information of 3-Cyclohexene-1-carbonitrile
Applications of 3-Cyclohexene-1-carbonitrile
3-Cyclohexene-1-carbonitrile has several applications in organic synthesis and industrial processes:
- Intermediate in Synthesis: It serves as an important intermediate in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals.
- Polymer Production: The compound can be utilized in polymerization processes due to its reactive double bond and nitrile group, leading to the formation of oligomers.
Interaction Studies of 3-Cyclohexene-1-carbonitrile
Studies have explored the interaction of 3-cyclohexene-1-carbonitrile with other compounds. Research into its anionic oligomerization has shown that both pure 3-cyclohexene-1-carbonitrile and its mixtures with isomers can lead to oligomers with desirable properties for specific applications in materials science.
Physical sample testing spectrum (NMR) of 3-Cyclohexene-1-carbonitrile
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