Description

3-Fluoro-4-methoxybenzoic acid (CAS No. 403-20-3) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₇FO₃. This compound is characterized by a benzoic acid core substituted with a fluorine atom at the 3-position and a methoxy group at the 4-position, offering unique electronic and steric properties for synthetic applications. It is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC), ideal for pharmaceutical intermediates, agrochemical synthesis, and material science research. The product is rigorously tested for consistency, stability, and low trace metal content, ensuring reliable performance in sensitive reactions. Store in a cool, dry place away from light and moisture to maintain integrity.

Properties

• CAS Number: 403-20-3
• Complexity: 172
• IUPAC Name: 3-fluoro-4-methoxy-benzoic acid
• InChI: InChI=1S/C8H7FO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
• InChI Key: HYNNNQDQEORWEU-UHFFFAOYSA-N
• Exact Mass: 170.03792224
• Molecular Formula: C8H7FO3
• Molecular Weight: 170.14
• SMILES: COC1=C(C=C(C=C1)C(=O)O)F
• Topological: 46.5
• Monoisotopic Mass: 170.03792224
• Synonyms: 3-fluoro-4-methoxybenzoic acid, 403-20-3, DTXSID90369895, DTXCID40320931, 609-820-9, 3-fluoro-4-methoxy benzoic acid, 3-fluoro-4-methoxy-benzoic acid, 3-Fluoro-p-anisic Acid, MFCD00060675, SMR000018990, MLS000084642, 3-Fluoro-4-methoxybenzoicacid, Opera_ID_903, SCHEMBL503994, 4-Methyl-3-fluorobenzoic acid, CHEMBL1578516, HYNNNQDQEORWEU-UHFFFAOYSA-N, HMS2332N15, SBB006649, STK070792, AKOS000264362, 3-Fluoro-4-methoxybenzoic acid, 98%, AC-3972, CS-W017706, FS-1078, SY016870, DB-011413, EU-0033392, F0543, NS00122127, ST50405203, EN300-12935, AH-034/32461001, SR-01000388843, SR-01000388843-1, Z57169536, F0451-0003, InChI=1/C8H7FO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11

Application

3-Fluoro-4-methoxybenzoic acid serves as a versatile building block in organic synthesis, particularly in the development of fluorinated pharmaceuticals and bioactive molecules. Its electron-withdrawing fluorine and electron-donating methoxy groups make it valuable for modulating drug lipophilicity and metabolic stability. Researchers utilize this compound in Suzuki-Miyaura cross-coupling reactions and as a precursor for liquid crystal materials. It is also employed in the synthesis of herbicides and fungicides due to its structural influence on target binding.

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 (88.9%): 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. 2A (100%)
• STOT SE 3 (88.9%)

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