Description

2-Fluoro-3-(trifluoromethyl)benzoic acid (CAS No. 115029-22-6) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₄F₄O₂. This compound features a fluorine substituent at the 2-position and a trifluoromethyl group at the 3-position of the benzoic acid ring, enhancing its reactivity and utility in synthetic applications. It is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC), ensuring consistency for research and industrial use. Ideal for pharmaceutical intermediates, agrochemical synthesis, and material science, this reagent is packaged under inert conditions to maintain stability. Available in quantities from grams to kilograms, it is suitable for both laboratory-scale experiments and bulk manufacturing.

Properties

• CAS Number: 115029-22-6
• Complexity: 226
• IUPAC Name: 2-fluoro-3-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H4F4O2/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H,13,14)
• InChI Key: XVEAMDNSCPPPCP-UHFFFAOYSA-N
• Exact Mass: 208.01474201
• Molecular Formula: C8H4F4O2
• Molecular Weight: 208.11
• SMILES: C1=CC(=C(C(=C1)C(F)(F)F)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 208.01474201
• Synonyms: 2-Fluoro-3-(trifluoromethyl)benzoic acid, 115029-22-6, DTXSID00333769, DTXCID10284859, 627-156-8, xveamdnscpppcp-uhfffaoysa-n, 2-fluoro-3-trifluoromethylbenzoic acid, Benzoic acid, 2-fluoro-3-(trifluoromethyl)-, MFCD00040980, 2-Fluoro-3-(trifluoromethyl)benzoicacid, alpha,alpha,alpha,2-Tetrafluoro-m-toluic Acid, 2-fluoro-3-trifluoromethyl-benzoic acid, SCHEMBL398909, BCP26716, CL8045, SBB063275, 3-trifluoromethyl-2-fluorobenzoic acid, AKOS005146280, AC-3987, BCP9000106, FF45675, PS-8050, SY022251, 2-fluoro-3-(trifluoromethyl) benzoic acid, DB-025023, CS-0007568, F0619, ST50319909, EN300-101462, 2-Fluoro-3-(trifluoromethyl)benzoic acid, 98%

Application

2-Fluoro-3-(trifluoromethyl)benzoic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its unique structure facilitates the introduction of fluorine atoms into complex molecules, enhancing their bioavailability and metabolic stability. Researchers also employ it in the development of liquid crystals and advanced polymers due to its electron-withdrawing properties. Additionally, it serves as a building block in organic catalysis and ligand design for transition metal complexes.

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.