Description

3,4,5-Trifluorobenzoic Acid (CAS No. 121602-93-5) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₇H₃F₃O₂. This compound is widely utilized in pharmaceutical research, agrochemical synthesis, and advanced material science due to its unique trifluorinated structure, which enhances reactivity and stability. With a purity of ≥98%, our product is rigorously tested via HPLC, NMR, and mass spectrometry to ensure consistency and reliability for demanding applications. Ideal as a building block for organofluorine chemistry, it serves as a key intermediate in the development of bioactive molecules, liquid crystals, and specialty polymers. Available in scalable quantities with customizable packaging options to suit lab-scale or industrial needs.

Properties

• CAS Number: 121602-93-5
• Complexity: 173
• IUPAC Name: 3,4,5-trifluorobenzoic acid
• InChI: InChI=1S/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
• InChI Key: VJMYKESYFHYUEQ-UHFFFAOYSA-N
• Exact Mass: 176.00851382
• Molecular Formula: C7H3F3O2
• Molecular Weight: 176.09
• SMILES: C1=C(C=C(C(=C1F)F)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 176.00851382
• Synonyms: 3,4,5-Trifluorobenzoic acid, 121602-93-5, Benzoic acid, 3,4,5-trifluoro-, DTXSID50357399, DTXCID60308458, 624-063-4, 3,4,5-Trifluorobenzoicacid, MFCD00074962, 3,4,5-trifluoro benzoic acid, 255875-61-7, SCHEMBL143172, SCHEMBL221480, 3,4,5-trifluoro-benzoic acid, BBL011907, SBB063845, STK802603, 3,4,5-Trifluorobenzoic acid, 98%, AKOS005614418, AC-4010, CS-W001340, FT64220, AS-14504, SY022899, DB-025340, ST50307039, T1640, EN300-68819, Z1080514246, InChI=1/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12

3,4,5-Trifluorobenzoic acid is primarily employed as a precursor in the synthesis of fluorinated pharmaceuticals, such as kinase inhibitors and antiviral agents. Its electron-withdrawing properties make it valuable in designing agrochemicals with enhanced metabolic stability. Researchers also use it to modify polymers for optoelectronic devices, leveraging its fluorine-induced hydrophobicity. The compound is compatible with coupling reactions (e.g., Suzuki-Miyaura) and esterification processes.

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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