4-Ethynyl-1H-pyrazole

CAS: 57121-49-0

Ref. 3D-HCA12149

Produktinformation

• Name: 4-Ethynyl-1H-pyrazole
• Marke: Biosynth
• Beschreibung: 4-Ethynyl-1H-pyrazole is a type of dipole that has a fluorine atom at the 1-position. It has been shown to have an affinity constant of 10.7 M, which is significantly higher than other dipoles such as the 4-ethynylpyridine (10.6 M) and phenylboronic acid (10.5 M). The molecular modeling study rationalized the covalent inhibitors that were first observed in this molecule. Constant values were found for both acceptor and donor groups in non-covalent interactions with single molecules, as well as with functional theory, which was used to find solvent effects on the fluorescence properties of this molecule. 4-Ethynyl-1H-pyrazole has also been shown to be a ligand for metal ions, including copper and zinc, with optical properties that can be affected by solvents such as water or ethanol.

Chemische Eigenschaften

• Molekulargewicht: 92.1 g/mol
• Formel: C₅H₄N₂
• Reinheit: Min. 95%