Description

4-(Trifluoromethyl)benzoic acid (CAS No. 455-24-3) is a high-purity aromatic carboxylic acid derivative featuring a trifluoromethyl group at the para position. With the molecular formula C₈H₅F₃O₂, this compound is widely utilized in pharmaceutical, agrochemical, and materials science research due to its electron-withdrawing properties and stability under various reaction conditions. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC), with trace metal analysis available upon request. Suitable for use as a building block in organic synthesis, ligand design, and fluorinated polymer modification. Offered in convenient packaging options (1g, 5g, 25g, 100g) with COA and MSDS documentation included.

Properties

• CAS Number: 455-24-3
• Complexity: 192
• IUPAC Name: 4-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
• InChI Key: SWKPKONEIZGROQ-UHFFFAOYSA-N
• Exact Mass: 190.02416388
• Molecular Formula: C8H5F3O2
• Molecular Weight: 190.12
• SMILES: C1=CC(=CC=C1C(=O)O)C(F)(F)F
• Topological: 37.3
• Monoisotopic Mass: 190.02416388
• Synonyms: 4-(Trifluoromethyl)benzoic acid, 455-24-3, 4-TRIFLUOROMETHYLBENZOIC ACID, p-Trifluoromethylbenzoic acid, Benzoic acid, 4-(trifluoromethyl)-, P-CARBOXYBENZOTRIFLUORIDE, 4-trifluoromethyl benzoic acid, p-trifluoroformylbenzoic acid, TFMBA, KA05X8S21Z, CHEBI:60696, EINECS 207-242-8, NSC 88327, NSC-88327, DTXSID0060018, Para-(trifluoromethyl)benzoic acid, TECOVIRIMAT METABOLITE (TFMBA), 4-TFMBA, DTXCID4040426, inchi=1/c8h5f3o2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4h,(h,12,13, alpha,alpha,alpha-Trifluoro-p-toluic acid, 4-Trifluoromethyl-benzoic acid, MFCD00002562, .alpha.,.alpha.,.alpha.-trifluoro-p-toluic acid, 4-(Trifluoromethyl)benzoicAcid, 3AE, Enamine_005626, NCIOpen2_001327, UNII-KA05X8S21Z, SCHEMBL78879, paratrifluoromethylbenzoic acid, CHEMBL443234, SCHEMBL3806036, SCHEMBL7000102, XAOXYZSQSPCPOQ-UHFFFAOYSA-N, HMS1409P16, NSC88327, SBB008571, STL169371, AKOS000118809, 4-(Trifluoromethyl)benzoic acid, 98%, AC-2487, BS-4038, CS-W015914, HY-W015198, SB13067, BP-11456, SY001624, DB-024077, NS00020418, ST45027541, T1145, EN300-17345, D70992, AO-801/41077414, Q27128434, Z56922105, F0001-1231, alpha,alpha,alpha-Trifluoro-p-toluic acid; 4-Carboxybenzotrifluoride

Application

4-(Trifluoromethyl)benzoic acid serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly those requiring enhanced metabolic stability. The trifluoromethyl group improves lipophilicity and bioavailability, making it valuable in drug discovery. It’s also employed as a precursor for liquid crystal materials and corrosion inhibitors. In material science, this compound functions as a modifier for specialty polymers requiring chemical resistance.

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.