Description

2-(Trifluoromethoxy)benzoic acid (CAS: 1979-29-9) is a high-purity organic compound with the molecular formula C₈H₅F₃O₃, widely utilized in pharmaceutical, agrochemical, and material science research. This fluorinated benzoic acid derivative features a trifluoromethoxy (–OCF₃) group at the ortho position, enhancing its electron-withdrawing properties and metabolic stability. With a purity of ≥96%, it is ideal for synthesizing bioactive molecules, ligands, or intermediates in drug discovery. The compound is supplied as a white to off-white crystalline powder, soluble in organic solvents like DMSO and methanol. Its unique structure makes it valuable for modulating pharmacokinetics in medicinal chemistry. Store in a cool, dry place under inert conditions to ensure long-term stability.

Properties

• CAS Number: 1979-29-9
• Complexity: 214
• IUPAC Name: 2-(trifluoromethoxy)benzoic acid
• InChI: InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
• InChI Key: JMYSPFGUBNENSE-UHFFFAOYSA-N
• Exact Mass: 206.01907850
• Molecular Formula: C8H5F3O3
• Molecular Weight: 206.12
• SMILES: C1=CC=C(C(=C1)C(=O)O)OC(F)(F)F
• Topological: 46.5
• Monoisotopic Mass: 206.01907850
• Synonyms: 2-(Trifluoromethoxy)benzoic acid, 630-288-9, 1979-29-9, 150436-84-3, Benzoic acid, 2-(trifluoromethoxy)-, MFCD00052325, 2-(trifluoromethoxy)benzoate, o-trifluoromethoxybenzoic acid, 2-(Trifluoromethoxy)benzoicacid, 2-trifluoromethoxybenzoic acid, alpha,alpha,alpha-Trifluoro-o-anisic Acid, 2-Trifluoromethoxy-benzoic acid, K2P, trifluoromethyl salicylic acid, SCHEMBL219675, 2-trifluoromethoxy benzoic acid, SCHEMBL2439616, SCHEMBL6957926, 2-(triluoromethoxy)benzoic acid, DTXSID90941579, 2-(trifluoromethoxy)-benzoic acid, CHEBI:195131, SBB064323, STL195579, AKOS005254634, AC-4013, CS-W015345, DS-1079, PS-8083, 2-(Trifluoromethoxy)benzoic acid, 96%, ST096080, SY017703, DB-030749, T2382, EN300-86538, F0001-0705

2-(Trifluoromethoxy)benzoic acid serves as a key intermediate in the synthesis of pharmaceuticals, particularly for introducing trifluoromethoxy groups into target molecules. It is used in agrochemical research to develop herbicides and pesticides with improved efficacy. The compound also finds applications in material science for designing advanced polymers and liquid crystals.

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

• Acute Tox. 4 (82.6%)
• Skin Irrit. 2 (17.4%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (15.2%)

If you are interested or have any questions, please contact us at support@atomfair.com

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