Description

2-Fluoro-4-(trifluoromethyl)aniline (CAS No. 69409-98-9) is a high-purity fluorinated aromatic amine with the molecular formula C₇H₅F₄N. This specialized compound is widely used in pharmaceutical, agrochemical, and materials science research due to its unique trifluoromethyl and fluoro substituents, which enhance reactivity and stability. Its IUPAC name, 2-fluoro-4-(trifluoromethyl)aniline, reflects its precise structural configuration. Available in various quantities, this product is rigorously tested for purity (typically ≥98% by GC or HPLC) and is supplied in sealed, light-resistant containers to ensure stability. Ideal for nucleophilic substitution reactions, cross-coupling, and as a building block for advanced fluorinated compounds.

Properties

• CAS Number: 69409-98-9
• Complexity: 156
• IUPAC Name: 2-fluoro-4-(trifluoromethyl)aniline
• InChI: InChI=1S/C7H5F4N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2
• InChI Key: ARHDUOQIXLGANT-UHFFFAOYSA-N
• Exact Mass: 179.03581181
• Molecular Formula: C7H5F4N
• Molecular Weight: 179.11
• SMILES: C1=CC(=C(C=C1C(F)(F)F)F)N
• Topological: 26
• Monoisotopic Mass: 179.03581181
• Synonyms: 2-fluoro-4-(trifluoromethyl)aniline, 69409-98-9, DTXSID20372211, DTXCID80323244, 679-055-3, 4-Amino-3-fluorobenzotrifluoride, 2-fluoro-4-trifluoromethylaniline, MFCD01631629, 3-FLUORO-4-AMINOBENZOTRIFLUORIDE, Benzenamine, 2-fluoro-4-(trifluoromethyl)-, 2-fluoro-4-(trifluoromethyl)phenylamine, SCHEMBL379155, SCHEMBL7140205, SCHEMBL28363679, a,a,a,2-Tetrafluoro-p-toluidine, Fluoro-4-(trifluoromethyl)aniline, 2-fluoro-4-trifluoromethyl aniline, SBB028383, 2-fluoro-4-(trifluoromethyl) aniline, 2-Fluoro-4-trifluoromethylphenylamine, 2-fluoro-4-trifluoromethyl-phenylamine, 4-amino-3-fluorotrifluoromethylbenzene, AKOS006229995, 2-fluoranyl-4-(trifluoromethyl)aniline, AC-2330, CS-W007935, PB47779, PS-8548, SY013567, 4-Amino-3-fluoro-1-trifluoromethylbenzene, DB-024326, EN300-131542, 2-Fluoro-4-(trifluoromethyl)aniline, AldrichCPR, A836486

Application

2-Fluoro-4-(trifluoromethyl)aniline serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, agrochemicals, and liquid crystals. Its electron-withdrawing trifluoromethyl group enhances the bioactivity of derived compounds, making it valuable in drug discovery. Researchers also utilize it to develop advanced materials with tailored optical and electronic properties. The compound’s reactivity in palladium-catalyzed cross-coupling reactions is particularly notable for constructing complex aromatic systems.

Safety and Hazards

GHS Hazard Statements

• H227 (14.3%): Combustible liquid [Warning Flammable liquids]
• H302+H312+H332 (14.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (71.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (28.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (14.3%)
• Acute Tox. 4 (100%)
• Acute Tox. 3 (71.4%)
• Acute Tox. 4 (28.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (42.9%)

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