Description

2-Amino-3-(trifluoromethoxy)benzoic Acid (CAS No. 561304-41-4) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₆F₃NO₃. This compound features an amino group and a trifluoromethoxy substituent on the aromatic ring, making it a valuable intermediate for pharmaceutical and agrochemical research. Its unique structural properties enable applications in drug discovery, particularly in the development of bioactive molecules targeting CNS disorders and inflammation. Available in >98% purity (HPLC), this product is rigorously tested for consistency and stability, ensuring reliable performance in synthetic workflows. Suitable for use in Suzuki couplings, amide formations, and other derivatization reactions. Packaged under inert gas to prevent degradation.

Properties

• CAS Number: 561304-41-4
• Complexity: 244
• IUPAC Name: 2-amino-3-(trifluoromethoxy)benzoic acid
• InChI: InChI=1S/C8H6F3NO3/c9-8(10,11)15-5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14)
• InChI Key: BQPQFVVEWXYRMH-UHFFFAOYSA-N
• Exact Mass: 221.02997754
• Molecular Formula: C8H6F3NO3
• Molecular Weight: 221.13
• SMILES: C1=CC(=C(C(=C1)OC(F)(F)F)N)C(=O)O
• Topological: 72.6
• Monoisotopic Mass: 221.02997754
• Synonyms: 2-amino-3-(trifluoromethoxy)benzoic Acid, 561304-41-4, DTXSID70471743, DTXCID30422559, 831-867-0, MFCD08669644, 2-Amino-3-(trifluoromethoxy)benzoicacid, Benzoic acid, 2-amino-3-(trifluoromethoxy)-, SCHEMBL161228, CS-B0664, SBB052841, AKOS015890023, DS-1263, PS-7851, SB79630, 2-amino-3-trifluoromethoxy-benzoic acid, SY030345, DB-030814

Application

2-Amino-3-(trifluoromethoxy)benzoic Acid serves as a key building block in medicinal chemistry for synthesizing trifluoromethoxy-containing drug candidates. Its electron-withdrawing trifluoromethoxy group enhances metabolic stability in bioactive compounds. Researchers utilize this intermediate in developing protease inhibitors and GPCR modulators. The amino and carboxyl functionalities allow facile conjugation to scaffolds for SAR studies.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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

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