Description

2-Fluoro-5-(trifluoromethoxy)aniline (CAS No. 116369-23-4) is a high-purity fluorinated aromatic amine with the molecular formula C₇H₅F₄NO. This specialized compound features a unique trifluoromethoxy (-OCF₃) and fluoro (-F) substitution pattern on its aniline core, making it a valuable building block for pharmaceutical, agrochemical, and materials science research. Its electron-withdrawing substituents enhance reactivity in nucleophilic aromatic substitution and cross-coupling reactions. Supplied as a clear to pale yellow liquid (or low-melting solid depending on storage conditions), it is packaged under inert gas to ensure stability. Typical purity ≥97% (GC), with exact specifications available in the Certificate of Analysis. Store at 2-8°C in tightly sealed containers away from light and moisture.

Properties

• CAS Number: 116369-23-4
• Complexity: 172
• IUPAC Name: 2-fluoro-5-(trifluoromethoxy)aniline
• InChI: InChI=1S/C7H5F4NO/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3H,12H2
• InChI Key: HQUWXEXDIIWBBY-UHFFFAOYSA-N
• Exact Mass: 195.03072643
• Molecular Formula: C7H5F4NO
• Molecular Weight: 195.11
• SMILES: C1=CC(=C(C=C1OC(F)(F)F)N)F
• Topological: 35.3
• Monoisotopic Mass: 195.03072643
• Synonyms: 2-Fluoro-5-(trifluoromethoxy)aniline, 116369-23-4, DTXSID00560295, DTXCID30511073, 640-294-3, Benzenamine, 2-fluoro-5-(trifluoromethoxy)-, 2-Fluoro-3-Trifluoromethoxy Aniline, SCHEMBL1275899, MFCD09832254, SBB091831, AKOS006281838, PS-8286, 2-fluoro-5-(trifluoromethoxy)phenylamine, CS-0084339, 2-Fluoro-5-(trifluoromethoxy)aniline,jrd,97%, EN300-4274838

Application

This fluorinated aniline derivative serves as a key intermediate in the synthesis of advanced pharmaceutical compounds, particularly those targeting CNS disorders due to its ability to enhance blood-brain barrier penetration. It is widely utilized in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions to construct complex heterocycles. The trifluoromethoxy group’s metabolic stability makes it valuable for developing agrochemicals with improved environmental persistence.

Safety and Hazards

GHS Hazard Statements

• H302+H332 (28.6%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (85.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (14.3%): 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 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• 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, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 3 (85.7%)
• Acute Tox. 4 (14.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (28.6%)

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