Description

3-(4-Hydroxy-3-nitrophenyl)propanoic acid (CAS No. 38196-09-7) is a high-purity nitro-substituted phenolic compound with the molecular formula C₉H₉NO₅. This fine chemical is characterized by its aromatic hydroxy and nitro functional groups, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is supplied as a crystalline solid with rigorously validated purity (>98% by HPLC) and structural integrity (confirmed via ¹H/¹³C NMR and LC-MS). Suitable for use as a building block in medicinal chemistry, its unique structure enables applications in developing enzyme inhibitors and bioactive molecules. Packaged under inert gas in amber glass vials to ensure stability, this product includes comprehensive analytical documentation (COA, MSDS, NMR spectra) for research and quality control purposes.

Properties

• CAS Number: 38196-09-7
• Complexity: 249
• IUPAC Name: 3-(4-hydroxy-3-nitro-phenyl)propanoic acid
• InChI: InChI=1S/C9H9NO5/c11-8-3-1-6(2-4-9(12)13)5-7(8)10(14)15/h1,3,5,11H,2,4H2,(H,12,13)
• InChI Key: KPJMKEOLALLMDY-UHFFFAOYSA-N
• Exact Mass: 211.04807239
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.17
• SMILES: C1=CC(=C(C=C1CCC(=O)O)[N+](=O)[O-])O
• Topological: 103
• Monoisotopic Mass: 211.04807239
• Synonyms: 3-(4-hydroxy-3-nitrophenyl)propanoic acid, 38196-09-7, 3-(4-HYDROXY-3-NITRO-PHENYL)-PROPIONIC ACID, MFCD00045947, 3-(4-Hydroxy-3-nitrophenyl)propanoicacid, 3-(4-hydroxy-3-nitrophenyl)propionic acid, SCHEMBL3533309, DTXSID60378934, KPJMKEOLALLMDY-UHFFFAOYSA-N, NBA19609, SBB052643, AKOS016008438, AS-65744, CS-0097385, D75882, EN300-1827364

Application

This compound serves as a key synthetic intermediate for pharmaceutical research, particularly in developing tyrosine kinase inhibitors and anti-inflammatory agents. The nitro and hydroxyl groups provide reactive sites for further functionalization in heterocyclic chemistry. Researchers utilize it in structure-activity relationship (SAR) studies of phenolic compounds. It has shown potential as a precursor for fluorescent probes in biochemical assays.

Safety and Hazards

GHS Hazard Statements

• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P264+P265, P280, P305+P354+P338, and P317

Hazard Classes and Categories

• Eye Dam. 1 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.