Description

3-Amino-5-fluorobenzotrifluoride (CAS No. 454-67-1) is a high-purity fluorinated aromatic amine with the molecular formula C₇H₅F₄N. This compound, also known as 3-fluoro-5-(trifluoromethyl)aniline, is a versatile building block in organic synthesis and pharmaceutical research. Its unique structure, featuring both fluorine and trifluoromethyl groups, enhances its reactivity and utility in nucleophilic substitution reactions, cross-coupling, and as a precursor for agrochemicals and drug candidates. Available in >98% purity (GC), this product is rigorously tested for consistency and stability, ensuring reliable performance in sensitive applications. Suitable for use in HPLC, LC-MS, and NMR analysis, it is packaged under inert gas to prevent degradation. Ideal for researchers in medicinal chemistry, material science, and specialty chemical development.

Properties

• CAS Number: 454-67-1
• Complexity: 156
• IUPAC Name: 3-fluoro-5-(trifluoromethyl)aniline
• InChI: InChI=1S/C7H5F4N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
• InChI Key: WQKQODZOQAFYPR-UHFFFAOYSA-N
• Exact Mass: 179.03581181
• Molecular Formula: C7H5F4N
• Molecular Weight: 179.11
• SMILES: C1=C(C=C(C=C1N)F)C(F)(F)F
• Topological: 26
• Monoisotopic Mass: 179.03581181
• Synonyms: 3-Amino-5-fluorobenzotrifluoride, 454-67-1, 3-fluoro-5-trifluoromethylaniline, DTXSID30371018, DTXCID00322052, 630-613-4, 3-fluoro-5-(trifluoromethyl)aniline, MFCD00061315, 3-Fluoro-5-trifluoromethyl-phenylamine, 3-fluoro-5-(trifluoromethyl)phenylamine, 3-fluoro-5-trifluorobenzenamine, Benzenamine, 3-fluoro-5-(trifluoromethyl)-, 3-Fluoro-5-trifluoromethyl-aniline, 5-fluoro-3-(trifluoromethyl)aniline, SCHEMBL131491, CL8428, SBB028382, 3-Fluoro-5-(trifluoromethyl)-aniline, AKOS006229593, AC-3697, CS-W017289, PS-8551, SY038241, ST50827949, EN300-160516, 3-Amino-5-fluorobenzotrifluoride;3-fluoro-5-trifluoromethylaniline

Application

3-Amino-5-fluorobenzotrifluoride is widely employed as a key intermediate in the synthesis of fluorinated pharmaceuticals, agrochemicals, and advanced materials. Its electron-withdrawing trifluoromethyl group and reactive amino moiety facilitate the development of bioactive compounds with enhanced metabolic stability. Researchers utilize this compound in Suzuki-Miyaura and Buchwald-Hartwig couplings to construct complex heterocycles. It also serves as a precursor for dyes, liquid crystals, and corrosion inhibitors. Its stability under acidic conditions makes it valuable for combinatorial chemistry workflows.

Safety and Hazards

GHS Hazard Statements

• H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (10.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (89.6%): 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 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (91.7%): 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 (97.9%)
• Acute Tox. 3 (10.4%)
• Acute Tox. 4 (89.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (97.9%)
• STOT SE 3 (91.7%)

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