Description

4,5-Dichloro-1H-pyrazole-3-carboxylic acid (CAS No. 115964-19-7) is a high-purity heterocyclic carboxylic acid derivative with the molecular formula C₄H₂Cl₂N₂O₂. This compound features a pyrazole core substituted with two chlorine atoms at the 4- and 5-positions and a carboxylic acid group at the 3-position, making it a versatile building block for pharmaceutical, agrochemical, and materials science research. Its precise molecular weight of 180.98 g/mol and reactive functional groups enable applications in organic synthesis, medicinal chemistry, and ligand design. Available in >95% purity (HPLC), this product is supplied as a white to off-white crystalline powder, packaged under inert conditions to ensure stability. Ideal for researchers developing novel bioactive molecules or studying structure-activity relationships in chlorinated heterocycles.

Properties

• CAS Number: 115964-19-7
• Complexity: 154
• IUPAC Name: 4,5-dichloro-1H-pyrazole-3-carboxylic acid
• InChI: InChI=1S/C4H2Cl2N2O2/c5-1-2(4(9)10)7-8-3(1)6/h(H,7,8)(H,9,10)
• InChI Key: SKSVXZSMMGPUJO-UHFFFAOYSA-N
• Exact Mass: 179.9493327
• Molecular Formula: C4H2Cl2N2O2
• Molecular Weight: 180.97
• SMILES: C1(=C(NN=C1C(=O)O)Cl)Cl
• Topological: 66
• Monoisotopic Mass: 179.9493327
• Synonyms: 4,5-DICHLORO-1H-PYRAZOLE-3-CARBOXYLIC ACID, 115964-19-7, 1H-Pyrazole-3-carboxylic acid, 4,5-dichloro-, 3,4-Dichloro-1H-pyrazole-5-carboxylic acid, SCHEMBL2763438, SKSVXZSMMGPUJO-UHFFFAOYSA-N, MFCD12755886, AKOS023838756, AB65800, 4,5-dichloropyrazole-3-carboxylic acid, DB-357655, CS-0451943, F12449, 4,5-DICHLORO-1H-PYRAZOLE-3-CARBOXYLICACID

Application

4,5-Dichloro-1H-pyrazole-3-carboxylic acid serves as a key intermediate in the synthesis of pharmacologically active pyrazole derivatives, including kinase inhibitors and antimicrobial agents. Its dichlorinated structure enhances electrophilicity for nucleophilic substitution reactions in medicinal chemistry workflows. The compound is also employed in coordination chemistry as a chelating ligand for transition metal catalysts. Additionally, it finds use in agrochemical research for developing herbicidal and fungicidal compounds.

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