Description

2-Fluoro-5-(trifluoromethyl)benzoic acid (CAS: 115029-23-7) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₄F₄O₂. This compound is widely used in pharmaceutical, agrochemical, and materials science research due to its unique trifluoromethyl and fluorine substituents, which enhance reactivity and stability. With a purity of ≥98%, it is ideal for coupling reactions, ligand synthesis, and as a building block for advanced organic frameworks. The product is supplied as a white to off-white crystalline powder, packaged under inert conditions to ensure longevity and performance. Its well-characterized structure (MFCD00061292) makes it a reliable choice for precise synthetic applications.

Properties

• CAS Number: 115029-23-7
• Complexity: 226
• IUPAC Name: 2-fluoro-5-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H4F4O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
• InChI Key: LIFKXWNFWIUMJT-UHFFFAOYSA-N
• Exact Mass: 208.01474201
• Molecular Formula: C8H4F4O2
• Molecular Weight: 208.11
• SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 208.01474201
• Synonyms: 2-Fluoro-5-(trifluoromethyl)benzoic acid, 115029-23-7, DTXSID70350862, DTXCID60301929, 626-965-3, 2-fluoro-5-trifluoromethylbenzoic acid, Benzoic acid, 2-fluoro-5-(trifluoromethyl)-, 2-Fluoro-5-(trifluoromethyl)benzoicacid, MFCD00061292, Maybridge1_006396, SCHEMBL43771, HMS559K16, 3-carboxy,4-fluorobenzotrifluoride, BBL100258, SBB064296, STL553826, AKOS005257733, AC-3989, CS-W015233, DS-0811, PS-8051, 2-fluoro-5-trifluoromethyl-benzoic acid, RH 00293, SY031701, 2-fluoro-5-(trifluoromethyl)-benzoic acid, DB-041245, F0620, ST50319733, EN300-50859, 2-Fluoro-5-(trifluoromethyl)benzoic acid, 98%

2-Fluoro-5-(trifluoromethyl)benzoic acid serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of bioactive molecules with enhanced metabolic stability. It is also employed in agrochemical research for designing novel herbicides and pesticides. Additionally, its fluorinated aromatic structure makes it valuable in materials science for creating specialty polymers and liquid crystals with tailored 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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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.