Description

3,5-Bis(trifluoromethyl)benzoic acid (CAS No. 725-89-3) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₉H₄F₆O₂. This compound features two electron-withdrawing trifluoromethyl groups at the 3- and 5-positions of the benzene ring, enhancing its reactivity and utility in organic synthesis. It is a white crystalline solid with excellent thermal and chemical stability, making it ideal for demanding applications in pharmaceuticals, agrochemicals, and advanced material science. Suitable for use as a building block in cross-coupling reactions, ligand synthesis, and as a precursor for derivatives, this product is rigorously tested to ensure ≥98% purity (HPLC/GC). Packaged under inert gas to prevent degradation and available in quantities from grams to kilograms, it is a reliable choice for research and industrial applications.

Properties

• CAS Number: 725-89-3
• Complexity: 273
• IUPAC Name: 3,5-bis(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)
• InChI Key: HVFQJWGYVXKLTE-UHFFFAOYSA-N
• Exact Mass: 258.01154834
• Molecular Formula: C9H4F6O2
• Molecular Weight: 258.12
• SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 258.01154834
• Synonyms: 3,5-Bis(trifluoromethyl)benzoic acid, 725-89-3, 3,5-di(Trifluoromethyl)benzoic acid, BENZOIC ACID, 3,5-BIS(TRIFLUOROMETHYL)-, Bis(3,5-trifluoromethyl)benzoic acid, EINECS 211-970-1, NSC 88282, BRN 2058600, NN52L84T3A, NSC-88282, 3,5-bis(trifluoromethyl) benzoic acid, UNII-NN52L84T3A, HVFQJWGYVXKLTE-UHFFFAOYSA-, TORCETRAPIB METABOLITE M1, DTXSID20222808, 3,5-Di-(trifluoromethyl) benzoic acid, DTXCID10145299, 211-970-1, hvfqjwgyvxklte-uhfffaoysa-n, inchi=1/c9h4f6o2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3h,(h,16,17), MFCD00000388, 3.5-Bis(trifluoromethyl)benzoic acid, NSC88282, Maybridge1_003411, SCHEMBL503980, CHEMBL3728871, SCHEMBL22981333, HMS551D01, 3,5-bistrifluoromethylbenzoic acid, SBB000963, 3,5-bis-trifluoromethyl-benzoic acid, 3,5-bis trifluoro methyl benzoic acid, 3,5-bis(trifluoromethyl)-benzoic acid, 3,5-bis-(trifluoromethyl)benzoic acid, AKOS000120436, AB00127, AC-3901, CCG-240220, CS-W012544, PS-7386, 3,5-bis-(trifluoromethyl)-benzoic acid, ST057539, SY016218, DB-055654, 3,5-Bis(trifluoromethyl)benzoic acid, 98%, B1420, NS00042067, EN300-17196, D70169, Z56899078, F0001-1846

Application

3,5-Bis(trifluoromethyl)benzoic acid is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly for compounds requiring enhanced lipophilicity and metabolic stability. Its strong electron-withdrawing properties make it valuable in catalysis and as a ligand modifier in transition-metal complexes. Additionally, it serves as a precursor for agrochemicals and specialty polymers, where the trifluoromethyl groups impart unique physicochemical 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 (98.7%): 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 (98.7%)

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