Description

4-(Trifluoromethoxy)benzoic acid (CAS No. 330-12-1) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₅F₃O₃. This compound features a benzoic acid core substituted with a trifluoromethoxy group at the para position, offering unique electronic and steric properties for advanced synthetic applications. With a molecular weight of 206.12 g/mol, it is a versatile building block in pharmaceutical, agrochemical, and material science research. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied as a white to off-white crystalline powder. Suitable for use in coupling reactions, ligand synthesis, and as a precursor for bioactive molecules. Packaged under inert gas to ensure stability and long shelf life.

Properties

• CAS Number: 330-12-1
• Complexity: 206
• IUPAC Name: 4-(trifluoromethoxy)benzoic acid
• InChI: InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
• InChI Key: RATSANVPHHXDCT-UHFFFAOYSA-N
• Exact Mass: 206.01907850
• Molecular Formula: C8H5F3O3
• Molecular Weight: 206.12
• SMILES: C1=CC(=CC=C1C(=O)O)OC(F)(F)F
• Topological: 46.5
• Monoisotopic Mass: 206.01907850
• Synonyms: 4-(Trifluoromethoxy)benzoic acid, 330-12-1, p-Trifluoromethoxybenzoic acid, Benzoic acid, 4-(trifluoromethoxy)-, p-Carboxyphenyl trifluoromethyl ether, EINECS 206-352-3, DTXSID20186633, DTXCID60109124, 206-352-3, ratsanvphhxdct-uhfffaoysa-n, 4-Trifluoromethoxy-benzoic acid, MFCD00002541, F1575-0074, 4-(Trifluoromethoxy)benzoicacid, 4-trifluoromethoxybenzoic acid, alpha,alpha,alpha-Trifluoro-p-anisic Acid, alpha,alpha,alpha-Trifluoro-p-anisic Acid; p-(Trifluoromethoxy)benzoic Acid;, p-trifluoroanisic acid, SCHEMBL219654, CHEMBL316498, IFLab1_006322, IFLab2_000032, SCHEMBL26622227, HMS1429P08, SMSSF-0613339, BBL011906, SBB000455, STK802602, 4-[(trifluoromethyl)oxy]benzoic acid, AKOS000120454, AC-1165, BS-4163, CS-W015349, 4-(Trifluoromethoxy)benzoic acid, 96%, IDI1_019058, SY016915, NS00041540, ST50306927, T1400, EN300-17233, Z56899155, F0291-0628, M4F

Application

4-(Trifluoromethoxy)benzoic acid is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of anti-inflammatory and antimicrobial agents. Its trifluoromethoxy group enhances metabolic stability and lipophilicity in drug candidates. Researchers also employ it in material science for designing liquid crystals and polymers with tailored electronic properties. The compound serves as a precursor for advanced ligands in catalysis and as a derivatization agent in analytical chemistry.

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%): 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%)

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