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4-Ethynyl-1H-pyrazole
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4-Ethynyl-1H-pyrazole

CAS: 57121-49-0

Ref. 3D-HCA12149

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Estimated delivery in United States, on Thursday 27 Jun 2024

Product Information

Name:
4-Ethynyl-1H-pyrazole
Description:

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.

Brand:
Biosynth
Long term storage:
Notes:

Chemical properties

Molecular weight:
92.1 g/mol
Formula:
C5H4N2
Purity:
Min. 95%
MDL:
Melting point:
Boiling point:
Flash point:
Density:
Concentration:
EINECS:
Merck:
HS code:

Hazard Info

UN Number:
EQ:
Class:
H Statements:
P Statements:
Forbidden to fly:
Hazard Info:
Packing Group:
LQ:

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