Description

4-Fluoro-2-(trifluoromethyl)benzoic acid (CAS No. 141179-72-8) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₄F₄O₂. This compound is characterized by its unique trifluoromethyl and fluorine substituents on the aromatic ring, which enhance its reactivity and utility in synthetic chemistry. It is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC), ensuring consistency for research and industrial applications. Ideal for use as a building block in pharmaceuticals, agrochemicals, and material science, this reagent is packaged under inert conditions to maintain stability. Available in quantities from milligrams to kilograms, it is suitable for both lab-scale experiments and bulk production.

Properties

• CAS Number: 141179-72-8
• Complexity: 226
• IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H4F4O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)
• InChI Key: JUHPDXOIGLHXTC-UHFFFAOYSA-N
• Exact Mass: 208.01474201
• Molecular Formula: C8H4F4O2
• Molecular Weight: 208.11
• SMILES: C1=CC(=C(C=C1F)C(F)(F)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 208.01474201
• Synonyms: 4-Fluoro-2-(trifluoromethyl)benzoic acid, 141179-72-8, JUHPDXOIGLHXTC-UHFFFAOYSA-, DTXSID90350849, DTXCID30301916, 626-641-1, inchi=1/c8h4f4o2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3h,(h,13,14), juhpdxoiglhxtc-uhfffaoysa-n, Benzoic acid, 4-fluoro-2-(trifluoromethyl)-, MFCD00040982, 4-fluoro-2-trifluoromethylbenzoic acid, alpha,alpha,alpha,4-Tetrafluoro-o-toluic Acid, 4-fluoro-2(trifluoromethyl)benzoic acid, 4-fluoro-2-(trifluoromethyl)benzoicacid, SCHEMBL334641, BCP26763, CK2236, SBB006651, 2-trifluoromethyl-4-fluorobenzoic acid, AKOS005255850, AC-3992, CS-W015235, FF64212, PS-8049, SY013105, DB-011340, F0577, ST50307006, EN300-69980, 4-Fluoro-2-(trifluoromethyl)benzoic acid, 98%, 4-Fluoro-2-(trifluoromethyl)benzoic acid, 97+%, Z1123696306

Application

4-Fluoro-2-(trifluoromethyl)benzoic acid is widely employed as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its electron-withdrawing groups make it valuable in Suzuki-Miyaura coupling reactions and other cross-coupling methodologies. Researchers also utilize it to develop liquid crystal materials and advanced polymers with tailored properties. The compound’s stability and reactivity further enable its use in derivatization for analytical 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 (98%): 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 (98%)

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