Description

3,4,5-Trifluoro-2′-aminobiphenyl (CAS No. 915416-45-4) is a high-purity fluorinated aromatic amine with the molecular formula C₁₂H₈F₃N and IUPAC name 2-(3,4,5-trifluorophenyl)aniline. This specialized compound is designed for advanced research applications, particularly in pharmaceutical development, agrochemical synthesis, and materials science. The trifluorophenyl and aniline moieties offer unique electronic and steric properties, making it a valuable intermediate for Suzuki coupling reactions and other cross-coupling methodologies. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied in sealed amber vials under inert atmosphere to guarantee stability. Ideal for medicinal chemistry, this building block enables the introduction of fluorine atoms into target molecules, enhancing bioavailability and metabolic stability. Storage recommendations: -20°C under nitrogen.

Properties

• CAS Number: 915416-45-4
• Complexity: 224
• IUPAC Name: 2-(3,4,5-trifluorophenyl)aniline
• InChI: InChI=1S/C12H8F3N/c13-9-5-7(6-10(14)12(9)15)8-3-1-2-4-11(8)16/h1-6H,16H2
• InChI Key: FTIKVBVUYPQUBF-UHFFFAOYSA-N
• Exact Mass: 223.06088375
• Molecular Formula: C12H8F3N
• Molecular Weight: 223.19
• SMILES: C1=CC=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)N
• Topological: 26
• Monoisotopic Mass: 223.06088375
• Synonyms: 915416-45-4, 2-(3,4,5-trifluorophenyl)aniline, 3′,4′,5′-Trifluorobiphenyl-2-ylamine, 3,4,5-Trifluoro-2′-aminobiphenyl, UNII-10XDA3W53S, 10XDA3W53S, 3′,4′,5′-Trifluoro(1,1′-biphenyl)-2-amine, (1,1′-Biphenyl)-2-amine, 3′,4′,5′-trifluoro-, [1,1′-Biphenyl]-2-amine, 3′,4′,5′-trifluoro-, DTXSID60658041, 3′,4′,5′-Trifluoro[1,1′-biphenyl]-2-amine, DTXCID30608790, 3′,4′,5′-Trifluoro-[1,1′-biphenyl]-2-amine, 3′,4′,5′-trifluorobiphenyl-2-amine, MFCD14603436, SCHEMBL397483, SCHEMBL977502, BCP11782, XH1399, AKOS010489403, SB79864, DS-18225, M700F003, SY043254, CS-0156689, NS00067132, EN300-98203, C77129, 3′,4′,5′-trifluoro[1,1′-biphenyl]-2-yl-amine, A1-98939, 3′ pound not4′ pound not5′-trifluorobiphenyl-2-amine, Q27251166, Z798912532, 2-(3,4,5-Trifluorophenyl)aniline; 3,4,5-Trifluoro-2′-aminobiphenyl; 3′,4′,5′-Trifluorobiphenyl-2-amine; 3′,4′,5′-Trifluorobiphenyl-2-ylamine

Application

3,4,5-Trifluoro-2′-aminobiphenyl serves as a key intermediate in the synthesis of fluorinated bioactive compounds, particularly in drug discovery for CNS targets. Its electron-deficient aromatic system facilitates palladium-catalyzed cross-coupling reactions to create novel kinase inhibitors. The compound has shown utility in developing PET radiotracers due to fluorine’s favorable nuclear properties. Researchers also employ it as a precursor for liquid crystal materials and OLED intermediates.

Safety and Hazards

GHS Hazard Statements

• H317 (73.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (73.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H410 (73.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
• H411 (26.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501

Hazard Classes and Categories

• Skin Sens. 1A (73.9%)
• Eye Irrit. 2 (73.9%)
• Aquatic Chronic 1 (73.9%)
• Aquatic Chronic 2 (26.1%)

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