Description

4-Fluoro-3-(trifluoromethyl)benzoic acid (CAS No. 67515-55-3) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₄F₄O₂. This compound is characterized by its aromatic carboxylic acid structure featuring both fluorine and trifluoromethyl substituents, offering unique electronic and steric properties for advanced synthetic applications. Its IUPAC name is 4-fluoro-3-(trifluoromethyl)benzoic acid, and it is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC). Ideal for pharmaceutical intermediates, agrochemical research, and material science, this reagent is packaged under inert conditions to ensure stability and longevity. Compatible with Suzuki coupling, amidation, and esterification reactions, it is a versatile building block for fluorinated scaffolds. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 67515-55-3
• Complexity: 226
• IUPAC Name: 4-fluoro-3-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H4F4O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
• InChI Key: WZBPZYCJUADXRS-UHFFFAOYSA-N
• Exact Mass: 208.01474201
• Molecular Formula: C8H4F4O2
• Molecular Weight: 208.11
• SMILES: C1=CC(=C(C=C1C(=O)O)C(F)(F)F)F
• Topological: 37.3
• Monoisotopic Mass: 208.01474201
• Synonyms: 4-Fluoro-3-(trifluoromethyl)benzoic acid, 67515-55-3, DTXSID50334903, DTXCID60285992, 626-515-6, 4-Fluoro-3-trifluoromethylbenzoic acid, MFCD00061294, 4-Fluoro-3-(trifluomethyl)benzoic acid, 4-fluoro-3-trifluoromethyl benzoic acid, alpha,alpha,alpha,4-Tetrafluoro-m-toluic Acid, Benzoic acid, 4-fluoro-3-(trifluoromethyl)-, SCHEMBL78878, CS-WAA0327, SBB064474, AKOS003381885, AC-3993, PS-8045, 4-fluoro-3-trifluoromethyl-benzoic acid, 4-fluoro-3 (trifluoromethyl)benzoic acid, SY016809, 4-fluoro-3-(trifluoromethyl)-benzoic acid, DB-024209, 4-Fluoro-3-(trifluoromethyl)benzoic acid #, F0760, ST45028028, EN300-56138, 4-Fluoro-3-(trifluoromethyl)benzoic acid, 99%, Z851015216

Application

4-Fluoro-3-(trifluoromethyl)benzoic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly in the development of kinase inhibitors and anti-inflammatory agents. Its trifluoromethyl and fluorine groups enhance metabolic stability and bioavailability in drug candidates. In agrochemical research, it serves as a precursor for herbicides and pesticides with improved environmental persistence. The compound is also employed in material science for designing liquid crystals and specialty polymers 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 (97.9%): 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. 2 (100%)
• STOT SE 3 (97.9%)

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