Description

2-Fluoro-4,5-dihydroxybenzoic acid (CAS No. 158641-64-6) is a fluorinated benzoic acid derivative with the molecular formula C₇H₅FO₄. This high-purity compound is an essential building block in organic synthesis and pharmaceutical research, offering unique reactivity due to its fluorine substitution and dihydroxy functional groups. The compound is characterized by its white to off-white crystalline powder appearance and is supplied with comprehensive analytical data including HPLC purity, NMR, and MS spectra to ensure quality and reproducibility. Ideal for researchers in medicinal chemistry, it serves as a precursor for the development of fluorinated drug candidates, agrochemicals, and specialty materials. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 158641-64-6
• Complexity: 184
• IUPAC Name: 2-fluoro-4,5-dihydroxy-benzoic acid
• InChI: InChI=1S/C7H5FO4/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,9-10H,(H,11,12)
• InChI Key: VQTABBMEZKSJRW-UHFFFAOYSA-N
• Exact Mass: 172.01718680
• Molecular Formula: C7H5FO4
• Molecular Weight: 172.11
• SMILES: C1=C(C(=CC(=C1O)O)F)C(=O)O
• Topological: 77.8
• Monoisotopic Mass: 172.01718680
• Synonyms: 2-fluoro-4,5-dihydroxybenzoic acid, 158641-64-6, SCHEMBL22222257, benzoic acid, 2-fluoro-4,5-dihydroxy-, DB-134774, InChI=1/C7H5FO4/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,9-10H,(H,11,12

Application

2-Fluoro-4,5-dihydroxybenzoic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and bioactive molecules. Its unique structure enables applications in the development of enzyme inhibitors and receptor modulators due to the electron-withdrawing effects of the fluorine atom. Researchers also utilize this compound in the study of metabolic pathways and as a probe for fluorescence-based assays. Its dihydroxy groups make it a versatile candidate for further functionalization in polymer and material science applications.

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