Description

2,4,5-Trifluoro-3-methoxybenzoic acid (CAS No. 112811-65-1) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₅F₃O₃. This compound features a benzoic acid core substituted with three fluorine atoms at the 2, 4, and 5 positions and a methoxy group at the 3 position, offering unique electronic and steric properties. It is an essential building block in pharmaceutical, agrochemical, and materials science research, particularly for synthesizing fluorinated analogs of bioactive molecules. Available in >98% purity (HPLC), this product is rigorously tested for consistency and stability, ensuring optimal performance in synthetic applications. Packaged under inert gas to prevent degradation, it is supplied as a white to off-white crystalline powder with detailed technical data, including NMR, MS, and FTIR spectra.

Properties

• CAS Number: 112811-65-1
• Complexity: 224
• IUPAC Name: 2,4,5-trifluoro-3-methoxy-benzoic acid
• InChI: InChI=1S/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13)
• InChI Key: YVJHZWWMKFQKDC-UHFFFAOYSA-N
• Exact Mass: 206.01907850
• Molecular Formula: C8H5F3O3
• Molecular Weight: 206.12
• SMILES: COC1=C(C(=CC(=C1F)F)C(=O)O)F
• Topological: 46.5
• Monoisotopic Mass: 206.01907850
• Synonyms: 2,4,5-Trifluoro-3-methoxybenzoic acid, 112811-65-1, 622-891-0, 3-methoxy-2,4,5-trifluorobenzoic acid, 11281-65-5, 2,4,5-trifluoro-3-methoxy-benzoic Acid, MFCD00153201, 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid, 2,4,5-Trifluoro-m-anisic Acid, 3-Methoxy-2,4,5-trifluorobenzoicacid, 2,4,5-trifluoro-3-methoxy benzoic acid, Benzoic acid, 2,4,5-trifluoro-3-methoxy-, SYA, SCHEMBL607945, YVJHZWWMKFQKDC-UHFFFAOYSA-N, DTXSID901286858, SBB063543, 2,4,5-Trifluoro-3-methoxybenzoicacid, AKOS015853212, AC-9309, FM38375, 3-methoxy-2,4,5-triflourobenzoic acid, 3-methoxy-2,4,5-trifluoro-benzoic acid, AS-10828, SY033734, DB-030778, CS-0092455, ST50405801, T1917, 2,4,5-Trifluoro-3-methoxybenzoic acid, 95%, A13993, EN300-179628, 3-Carboxy-2,5,6-trifluoroanisole, 2,4,5-Trifluoro-m-anisic acid

Application

2,4,5-Trifluoro-3-methoxybenzoic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and antibacterial agents. Its electron-withdrawing trifluoro and methoxy groups make it valuable for modulating the reactivity and bioavailability of target compounds. Researchers also employ it in material science to develop liquid crystals and organic semiconductors with tailored electronic properties.

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 (97.8%): 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 (97.8%)

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