Description

2-Hydroxy-5-(trifluoromethyl)benzoic Acid (CAS No. 79427-88-6) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₅F₃O₃. This compound features a hydroxyl group at the 2-position and a trifluoromethyl group at the 5-position of the benzoic acid scaffold, making it a valuable intermediate in pharmaceutical, agrochemical, and material science research. Its unique electronic and steric properties enhance reactivity in coupling reactions and metal-catalyzed transformations. Available in >98% purity (HPLC), it is supplied as a white to off-white crystalline powder with strict QC validation (NMR, LC-MS). Store under inert conditions at 2-8°C to ensure stability.

Properties

• CAS Number: 79427-88-6
• Complexity: 226
• IUPAC Name: 2-hydroxy-5-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)
• InChI Key: YQDOJQUHDQGQPH-UHFFFAOYSA-N
• Exact Mass: 206.01907850
• Molecular Formula: C8H5F3O3
• Molecular Weight: 206.12
• SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)O)O
• Topological: 57.5
• Monoisotopic Mass: 206.01907850
• Synonyms: 2-hydroxy-5-(trifluoromethyl)benzoic Acid, 79427-88-6, DTXSID70455806, DTXCID60406625, 630-120-4, 2-Hydroxy-5-trifluoromethylbenzoic acid, MFCD07787570, 2-Hydroxy-5-Trifluoromethyl Benzoic Acid, Benzoic acid, 2-hydroxy-5-(trifluoromethyl)-, 2-Hydroxy-5-(trifluoromethyl)benzoicacid, SCHEMBL130628, YQDOJQUHDQGQPH-UHFFFAOYSA-, YQDOJQUHDQGQPH-UHFFFAOYSA-N, SBB064997, 5-TRIFLUOROMETHYLSALICYLIC ACID, AKOS015890461, CS-W018876, FS-3335, MB05102, AC-28557, SY046779, 2-hydroxy-5 (trifluoromethyl)-benzoic acid, DB-022583, EN300-124954, 4-Trifluoro methyl Salicylic Acid;2-Hydroxy-5-(trifluoromethyl)benzoic acid; 5-Trifluoromethyl-2-hydroxybenzoic acid, InChI=1/C8H5F3O3/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)

Application

2-Hydroxy-5-(trifluoromethyl)benzoic Acid is widely used as a key synthon in medicinal chemistry for designing kinase inhibitors and anti-inflammatory agents due to its trifluoromethyl group’s metabolic stability. It serves as a precursor for advanced OLED materials, leveraging its electron-withdrawing properties to tune emission spectra. In agrochemical research, it is employed to develop herbicides with enhanced leaf permeability.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (96.8%): 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 (96.8%)
• 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.