Description

4-Amino-3-(trifluoromethoxy)benzoic Acid (CAS No. 175278-22-5) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₆F₃NO₃. This compound features a trifluoromethoxy group and an amino substituent on the aromatic ring, making it a valuable intermediate for pharmaceutical and agrochemical synthesis. Its unique structure enhances metabolic stability and lipophilicity, ideal for drug discovery and material science applications. Available in >98% purity (HPLC), it is supplied as a white to off-white crystalline powder with rigorous QC validation (NMR, MS, HPLC). Suitable for research use only (RUO) and laboratory-scale applications. Store under inert conditions at 2-8°C to ensure stability.

Properties

• CAS Number: 175278-22-5
• Complexity: 244
• IUPAC Name: 4-amino-3-(trifluoromethoxy)benzoic acid
• InChI: InChI=1S/C8H6F3NO3/c9-8(10,11)15-6-3-4(7(13)14)1-2-5(6)12/h1-3H,12H2,(H,13,14)
• InChI Key: IXJFWBNYFTWBOR-UHFFFAOYSA-N
• Exact Mass: 221.02997754
• Molecular Formula: C8H6F3NO3
• Molecular Weight: 221.13
• SMILES: C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)N
• Topological: 72.6
• Monoisotopic Mass: 221.02997754
• Synonyms: 4-amino-3-(trifluoromethoxy)benzoic Acid, 175278-22-5, DTXSID00371040, DTXCID20322074, 630-313-3, 4-amino-3-trifluoromethoxybenzoic acid, Benzoic acid, 4-amino-3-(trifluoromethoxy)-, 4-Amino-3-trifluoromethoxy benzoic acid, 3-(trifluoromethoxy)-4-aminobenzoicacid, SCHEMBL417462, CL8103, SBB052829, AKOS005257322, CS-W014741, FA64179, PS-7852, SB80377, 4-amino-3-trifluoromethoxy-benzoic acid, 4-amino-3-(trifluoromethyoxy)benzoic acid, DB-006632, ST50949589, EN300-110358

Application

4-Amino-3-(trifluoromethoxy)benzoic Acid is widely used as a key building block in medicinal chemistry for the development of bioactive molecules, particularly in CNS and anti-inflammatory drug candidates. Its trifluoromethoxy group improves pharmacokinetic properties, making it valuable for PET tracer synthesis. The compound also serves as a precursor for advanced materials, such as liquid crystals and polymers with tailored electronic properties.

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

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• 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.