Description

2,4,6-Trifluorobenzoic Acid (CAS No. 28314-80-9) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₇H₃F₃O₂. This compound is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its trifluorinated structure enhances reactivity and stability, making it ideal for nucleophilic aromatic substitution reactions and as a precursor for advanced intermediates. Available in >98% purity (HPLC), this product is rigorously tested to meet the stringent requirements of research and industrial applications. Packaged under inert gas to ensure stability, it is supplied in amber glass vials or bulk quantities upon request.

Properties

• CAS Number: 28314-80-9
• Complexity: 173
• IUPAC Name: 2,4,6-trifluorobenzoic acid
• InChI: InChI=1S/C7H3F3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
• InChI Key: SJZATRRXUILGHH-UHFFFAOYSA-N
• Exact Mass: 176.00851382
• Molecular Formula: C7H3F3O2
• Molecular Weight: 176.09
• SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)F
• Topological: 37.3
• Monoisotopic Mass: 176.00851382
• Synonyms: 2,4,6-Trifluorobenzoic acid, 28314-80-9, BENZOIC ACID, 2,4,6-TRIFLUORO-, DTXSID50334327, DTXCID60285417, 623-645-5, 2,4,6-Trifluorobenzoicacid, MFCD00042398, SCHEMBL288979, SCHEMBL8678389, SBB006688, 2,4,6-Trifluorobenzoic acid, 98%, AKOS000152490, AC-4009, CS-W002210, FT64219, CS-11287, SY014352, DB-030782, ST50307069, T2409, EN300-67167, Z285150322, InChI=1/C7H3F3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12

Application

2,4,6-Trifluorobenzoic acid is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its electron-withdrawing trifluoromethyl groups facilitate reactions such as Suzuki couplings and amide formations. Researchers leverage its properties to develop bioactive molecules, including protease inhibitors and herbicides. It also serves as a precursor for liquid crystals and advanced polymers.

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%)

If you are interested or have any questions, please contact us at support@atomfair.com

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