Description

4-Cyano-2-(hydroxymethyl)-benzoic Acid Sodium Salt (CAS No. 1378843-02-7) is a high-purity organic compound with the molecular formula C₉H₇NO₃. This sodium salt derivative of 4-cyano-2-(hydroxymethyl)benzoic acid is a valuable intermediate for pharmaceutical and chemical synthesis. Its unique structure, featuring both a cyano group and a hydroxymethyl substituent on the aromatic ring, makes it a versatile building block for designing complex molecules. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for research and industrial applications. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability.

Properties

• CAS Number: 1378843-02-7
• Complexity: 242
• IUPAC Name: 4-cyano-2-(hydroxymethyl)benzoic acid
• InChI: InChI=1S/C9H7NO3/c10-4-6-1-2-8(9(12)13)7(3-6)5-11/h1-3,11H,5H2,(H,12,13)
• InChI Key: AFQWRFYYZLUUDQ-UHFFFAOYSA-N
• Exact Mass: 177.042593085
• Molecular Formula: C9H7NO3
• Molecular Weight: 177.16
• SMILES: C1=CC(=C(C=C1C#N)CO)C(=O)O
• Topological: 81.3
• Monoisotopic Mass: 177.042593085
• Synonyms: 4-cyano-2-(hydroxymethyl)benzoic acid, 4-Cyano-2-(hydroxymethyl)benzoic Acid Sodium Salt, 4-Cyano-2-(hydroxymethyl)-benzoic Acid Sodium Salt, SCHEMBL23480907, 1378843-02-7

Application

4-Cyano-2-(hydroxymethyl)-benzoic Acid Sodium Salt is primarily used as a key intermediate in organic synthesis and pharmaceutical research. It serves as a precursor for developing active pharmaceutical ingredients (APIs) and fine chemicals. The compound’s reactive functional groups make it suitable for further derivatization in medicinal chemistry applications. Researchers also utilize this material in polymer chemistry and materials science for designing specialized monomers.

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