Description

2-Nitro-5-(trifluoromethoxy)benzoic acid (CAS No. 189359-65-7) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₄F₃NO₅. This specialized chemical features a nitro group and a trifluoromethoxy substituent on a benzoic acid backbone, making it a valuable intermediate for advanced synthetic applications. Its unique structure is ideal for pharmaceutical research, agrochemical development, and material science. Available in rigorously tested batches, this product is characterized by HPLC, NMR, and mass spectrometry to ensure >98% purity. Suitable for use in organic synthesis, cross-coupling reactions, and as a building block for bioactive molecules. Packaged under inert conditions to guarantee stability and longevity.

Properties

• CAS Number: 189359-65-7
• Complexity: 313
• IUPAC Name: 2-nitro-5-(trifluoromethoxy)benzoic acid
• InChI: InChI=1S/C8H4F3NO5/c9-8(10,11)17-4-1-2-6(12(15)16)5(3-4)7(13)14/h1-3H,(H,13,14)
• InChI Key: GQEIKAXUKWLVPL-UHFFFAOYSA-N
• Exact Mass: 251.00415671
• Molecular Formula: C8H4F3NO5
• Molecular Weight: 251.12
• SMILES: C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)[N+](=O)[O-]
• Topological: 92.4
• Monoisotopic Mass: 251.00415671
• Synonyms: 2-Nitro-5-(trifluoromethoxy)benzoic acid, 189359-65-7, DTXSID80619811, DTXCID90570565, 630-296-2, 2-NITRO-5-(TRIFLUOROMETHOXY)BENZOICACID, MFCD08741392, 2-Nitro-5-trifluoromethoxybenzoic acid, Benzoic acid, 2-nitro-5-(trifluoromethoxy)-, SCHEMBL3158027, SBB064643, TD1073, AKOS015890184, AB48775, 2-Nitro-5-trifluoromethoxy-benzoic acid, 1805449-91-5, AC-26061, PS-10414, SY239153, DB-065690, CS-0157042

Application

2-Nitro-5-(trifluoromethoxy)benzoic acid serves as a versatile intermediate in medicinal chemistry for the synthesis of trifluoromethoxy-containing drug candidates. Its electron-withdrawing groups make it valuable in designing enzyme inhibitors and receptor modulators. Researchers also utilize it in agrochemical development to create novel pesticides with enhanced metabolic stability. Additionally, it is employed in material science for the preparation of specialty polymers and coatings with unique fluorinated 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. 2 (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.