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Thermo Scientific Chemicals
4-Ethynylbenzonitrile, 97%
CAS: 3032-92-6 | C9H5N | 127.146 g/mol
化学物質識別子
CAS3032-92-6
IUPAC Name4-ethynylbenzonitrile
Molecular FormulaC9H5N
InChI KeyLAGNMUUUMQJXBF-UHFFFAOYSA-N
SMILESC#CC1=CC=C(C=C1)C#N
さらに表示
仕様
スペックシート
スペックシートAssay from Supplier's CofA≥96.0% (GC)
Appearance (Color)White to dark brown
FormPowder or crystals
4-Ethynylbenzonitrile is used as a synthetic fragment and as a test compound for cross-coupling reactions. It is used in the study of hydrogen bond formation in multifunctional molecules due to the presence of four hydrogen bonding sites. It is also involved in the preparation of 4-[(trimethylsilyl)ethynyl]benzonitrile.
This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
Applications
4-Ethynylbenzonitrile is used as a synthetic fragment and as a test compound for cross-coupling reactions. It is used in the study of hydrogen bond formation in multifunctional molecules due to the presence of four hydrogen bonding sites. It is also involved in the preparation of 4-[(trimethylsilyl)ethynyl]benzonitrile.
Solubility
Slightly soluble in water.
Notes
Incompatible with strong oxidizing agents, acids and organic materials.
4-Ethynylbenzonitrile is used as a synthetic fragment and as a test compound for cross-coupling reactions. It is used in the study of hydrogen bond formation in multifunctional molecules due to the presence of four hydrogen bonding sites. It is also involved in the preparation of 4-[(trimethylsilyl)ethynyl]benzonitrile.
Solubility
Slightly soluble in water.
Notes
Incompatible with strong oxidizing agents, acids and organic materials.
RUO – Research Use Only
General References:
- Zhang, C.; Liu, J.; Xia, C. Palladium-N-heterocyclic carbene (NHC)-catalyzed synthesis of 2-ynamides via oxidative aminocarbonylation of alkynes with amines. Catal. Sci. Technol. 2015, 5 (10), 4750-4754.
- Tadeo-León, J.; Fomine, S.; Bizarro, M.; Guadarrama, P. Fully conjugated push-pull dendrons with high dipole moments in excited state; synthesis and theoretical rationalization. J. Phys. Org. Chem. 2015, 28 (4), 304-311.