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CAS 682757-51-3

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4-Bromo-1-(1,1-dimethylethyl)-1H-pyrazole-3-carboxylic acid

Description:
4-Bromo-1-(1,1-dimethylethyl)-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic ring containing two adjacent nitrogen atoms. The presence of a bromine atom at the 4-position and a tert-butyl group at the 1-position contributes to its unique reactivity and physical properties. This compound features a carboxylic acid functional group at the 3-position, which enhances its acidity and potential for hydrogen bonding. It is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the carboxylic acid group. The compound is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential biological activity. Its synthesis and characterization involve standard organic chemistry techniques, and it may serve as a building block for more complex molecules. Safety data should be consulted for handling, as halogenated compounds can pose specific health and environmental risks.
Formula:C8H11BrN2O2
InChI:InChI=1S/C8H11BrN2O2/c1-8(2,3)11-4-5(9)6(10-11)7(12)13/h4H,1-3H3,(H,12,13)
InChI key:InChIKey=VXTHTIHMMDDRIY-UHFFFAOYSA-N
SMILES:C(C)(C)(C)N1N=C(C(O)=O)C(Br)=C1
Synonyms:
  • 4-Bromo-1-(1,1-dimethylethyl)-1H-pyrazole-3-carboxylic acid
  • 1H-Pyrazole-3-carboxylic acid, 4-bromo-1-(1,1-dimethylethyl)-
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