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CAS 6645-69-8

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(4-nitro-1H-pyrazol-1-yl)acetic acid

Description:
(4-Nitro-1H-pyrazol-1-yl)acetic acid, with the CAS number 6645-69-8, is an organic compound characterized by its pyrazole ring structure substituted with a nitro group and an acetic acid moiety. This compound typically exhibits a pale yellow to light brown solid appearance. It is known for its potential applications in pharmaceuticals and agrochemicals due to its bioactive properties. The presence of the nitro group contributes to its reactivity and may influence its interaction with biological targets. The carboxylic acid functional group in the acetic acid part of the molecule imparts acidic characteristics, allowing it to participate in various chemical reactions, including esterification and amidation. Additionally, (4-nitro-1H-pyrazol-1-yl)acetic acid may exhibit solubility in polar solvents, which is common for compounds containing both aromatic and carboxylic acid functionalities. Its synthesis typically involves multi-step organic reactions, and it is important to handle this compound with care due to the potential hazards associated with nitro compounds.
Formula:C5H5N3O4
InChI:InChI=1/C5H5N3O4/c9-5(10)3-7-2-4(1-6-7)8(11)12/h1-2H,3H2,(H,9,10)
SMILES:c1c(cn(CC(=O)O)n1)N(=O)=O
Synonyms:
  • 1H-Pyrazole-1-acetic acid, 4-nitro-
  • (4-Nitro-1H-pyrazol-1-yl)acetic acid
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