Description

2-Fluoro-4-methoxybenzoic acid (CAS No. 394-42-3) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₇FO₃. This compound features a fluorine substituent at the ortho position and a methoxy group at the para position relative to the carboxylic acid functionality, making it a versatile building block for pharmaceutical, agrochemical, and material science research. Its IUPAC name is 2-fluoro-4-methoxybenzoic acid, and it is characterized by excellent stability and reactivity in nucleophilic substitution and coupling reactions. Available in >98% purity (HPLC), this product is supplied as a white to off-white crystalline powder, packaged under inert conditions to ensure long-term stability. Ideal for use in medicinal chemistry, ligand synthesis, and as a precursor for advanced intermediates.

Properties

• CAS Number: 394-42-3
• Complexity: 172
• IUPAC Name: 2-fluoro-4-methoxy-benzoic acid
• InChI: InChI=1S/C8H7FO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
• InChI Key: UPWMPIKNUXTWFP-UHFFFAOYSA-N
• Exact Mass: 170.03792224
• Molecular Formula: C8H7FO3
• Molecular Weight: 170.14
• SMILES: COC1=CC(=C(C=C1)C(=O)O)F
• Topological: 46.5
• Monoisotopic Mass: 170.03792224
• Synonyms: 2-Fluoro-4-methoxybenzoic acid, 394-42-3, DTXSID90379090, DTXCID40330116, 642-762-2, 2-Fluoro-p-anisic Acid, MFCD00509373, 2-Fluoro-4-methoxybenzoicacid, 2-fluoro-4-methoxy-benzoic Acid, Benzoic acid, 2-fluoro-4-methoxy-, SCHEMBL1051747, BCP20605, BBL100420, SBB052739, STL554214, AKOS000118463, AC-3969, CS-W002640, FF37754, FS-1324, SY012770, DB-031107, F0572, EN300-13008, A23078, Z89264974

Application

2-Fluoro-4-methoxybenzoic acid is widely used as a key intermediate in the synthesis of bioactive molecules, particularly in the development of pharmaceuticals and agrochemicals. Its unique substitution pattern enables the introduction of fluorine into target compounds, enhancing metabolic stability and binding affinity. Researchers utilize this compound in Suzuki-Miyaura couplings, esterifications, and amide formations to create complex scaffolds. It is also employed in material science for designing liquid crystals and specialty polymers. Suitable for high-throughput screening and combinatorial chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (90%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (90%)

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