Description

2,4-Difluoro-3-methoxybenzoic Acid (CAS 178974-97-5) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₆F₂O₃. This compound is characterized by its difluoro and methoxy functional groups, which enhance its reactivity and utility in synthetic chemistry applications. It is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for research and industrial use. Ideal for pharmaceutical intermediates, agrochemical synthesis, and material science, this product is rigorously tested for quality, including NMR, LC-MS, and elemental analysis. Packaged under inert conditions to ensure stability, it is available in quantities ranging from milligrams to kilograms to suit lab-scale and bulk requirements.

Properties

• CAS Number: 178974-97-5
• Complexity: 198
• IUPAC Name: 2,4-difluoro-3-methoxy-benzoic acid
• InChI: InChI=1S/C8H6F2O3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,1H3,(H,11,12)
• InChI Key: KWLIGHXPUYUTBH-UHFFFAOYSA-N
• Exact Mass: 188.02850037
• Molecular Formula: C8H6F2O3
• Molecular Weight: 188.13
• SMILES: COC1=C(C=CC(=C1F)C(=O)O)F
• Topological: 46.5
• Monoisotopic Mass: 188.02850037
• Synonyms: 2,4-Difluoro-3-methoxybenzoic acid, 178974-97-5, DTXSID90396323, DTXCID80347182, 681-570-3, Benzoic acid, 2,4-difluoro-3-methoxy-, 2,4-difluoro-3-methoxy-benzoic Acid, MFCD02258905, SCHEMBL606872, KWLIGHXPUYUTBH-UHFFFAOYSA-N, 2,4-Difluoro-3-methoxybenzoicacid, 3-Methoxy-2,4-difluorobenzoic acid, 3-Methoxyl-2,4-difluorobenzoic acid, SBB064343, AKOS006344924, AC-3954, AS-33126, D5309, EN300-156344, Z1201621729

Application

2,4-Difluoro-3-methoxybenzoic Acid is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly for fluorinated drug candidates. Its reactive carboxyl group and electron-withdrawing fluorine atoms make it valuable in cross-coupling reactions and peptide modifications. Additionally, it serves as a building block for agrochemicals and specialty materials requiring fluorinated aromatic frameworks. Researchers also employ it in ligand design for catalysis and as a probe in metabolic studies.

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 (83.3%): 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 (83.3%)

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