Description

4′-Cyano-3′-(trifluoromethyl)acetanilide (CAS: 97760-99-1) is a high-purity organic compound with the molecular formula C₁₀H₇F₃N₂O, designed for advanced research and pharmaceutical applications. This specialized chemical features a trifluoromethyl (-CF₃) and cyano (-CN) functional group on a phenyl ring, making it a valuable intermediate in medicinal chemistry, agrochemical synthesis, and material science. With a rigorous QC process, this product meets ≥95% purity (HPLC/GC) and is supplied as a crystalline solid with excellent batch-to-batch consistency. Ideal for high-throughput screening (HTS), structure-activity relationship (SAR) studies, and custom synthesis. Available in scalable quantities with full analytical documentation (MSDS, NMR, COA).

Properties

• CAS Number: 97760-99-1
• Complexity: 318
• IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide
• InChI: InChI=1S/C10H7F3N2O/c1-6(16)15-8-3-2-7(5-14)9(4-8)10(11,12)13/h2-4H,1H3,(H,15,16)
• InChI Key: FHKLGEQKLMMVCZ-UHFFFAOYSA-N
• Exact Mass: 228.05104734
• Molecular Formula: C10H7F3N2O
• Molecular Weight: 228.17
• SMILES: CC(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
• Topological: 52.9
• Monoisotopic Mass: 228.05104734
• Synonyms: N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide, n-(4-cyano-3-(trifluoromethyl)phenyl)acetamide, 4′-cyano-3′-(trifluoromethyl)acetanilide, 640-865-7, 97760-99-1, 4-Cyano-3-(trifluoromethyl)acetanilide, Acetamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-, MFCD00052360, Maybridge3_004822, SCHEMBL324379, SCHEMBL14289402, DTXSID20371567, FHKLGEQKLMMVCZ-UHFFFAOYSA-N, HMS1444L04, CCG-1305, 4-cyano-3-trifluoromethylacetanilide, SBB097261, AKOS009159249, FS-1072, IDI1_016209, CS-0153979, ST51041449, D84245

4′-Cyano-3′-(trifluoromethyl)acetanilide serves as a key building block in the development of bioactive molecules, particularly in the synthesis of nonsteroidal anti-inflammatory drugs (NSAIDs) and kinase inhibitors. Its electron-withdrawing groups enhance binding affinity in drug-receptor interactions, making it valuable for structure-based drug design. Researchers also utilize it in fluorinated compound libraries for PET tracer development. In material science, it acts as a precursor for liquid crystals and OLED materials due to its rigid aromatic core.

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.