Description

2-Fluoro-4-(trifluoromethyl)benzoic acid (CAS No. 115029-24-8) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₄F₄O₂. This compound is characterized by its unique trifluoromethyl and fluorine substituents on the benzoic acid backbone, making it a valuable intermediate in pharmaceutical, agrochemical, and materials science research. It is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC), ensuring consistency for synthetic applications. Suitable for use in Suzuki couplings, amide formations, and other derivatization reactions, this reagent is packaged under inert conditions to maintain stability. Ideal for researchers requiring precise fluorinated building blocks.

Properties

• CAS Number: 115029-24-8
• Complexity: 226
• IUPAC Name: 2-fluoro-4-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H4F4O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)
• InChI Key: OCIYTBZXTFPSPI-UHFFFAOYSA-N
• Exact Mass: 208.01474201
• Molecular Formula: C8H4F4O2
• Molecular Weight: 208.11
• SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 208.01474201
• Synonyms: 2-Fluoro-4-(trifluoromethyl)benzoic acid, 115029-24-8, DTXSID10333770, DTXCID20284860, 627-844-8, ociytbzxtfpspi-uhfffaoysa-n, Benzoic acid, 2-fluoro-4-(trifluoromethyl)-, MFCD00010322, 2-fluoro-4-trifluoromethylbenzoic acid, 2-Fluoro-4-(trifluoromethyl)benzoicacid, SCHEMBL283914, CK1084, SBB052827, AKOS005258546, AC-3988, CS-W015234, PS-8047, 2-fluoro-4-trifluoromethyl-benzoic acid, SY022939, 2-fluoro-4-(trifluoromethyl) benzoic acid, DB-030848, ST50307032, EN300-180093, 2-Fluoro-4-(trifluoromethyl)benzoic acid, 99%

Application

2-Fluoro-4-(trifluoromethyl)benzoic acid is widely employed as a key synthon in the development of bioactive molecules, particularly in medicinal chemistry for protease inhibitor design. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in drug discovery. The compound is also utilized in agrochemical research for herbicide and pesticide formulations. Additionally, it serves as a precursor for advanced materials, such as liquid crystals and 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 (100%): 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 (100%)

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