Description

5-Bromo-2-(trifluoromethoxy)aniline (CAS No. 886762-08-9) is a high-purity aromatic amine derivative with the molecular formula C₇H₅BrF₃NO. This compound features a bromo-substituted aniline core with a trifluoromethoxy group at the ortho position, making it a valuable intermediate for pharmaceutical, agrochemical, and materials science research. Its unique structure enables applications in Suzuki-Miyaura cross-coupling reactions, palladium-catalyzed aminations, and other advanced synthetic transformations. Supplied as a crystalline solid with ≥95% purity (HPLC), it is rigorously tested for consistency and stability. Ideal for researchers developing fluorinated bioactive molecules or electronic materials. Store under inert atmosphere at 2-8°C to maintain integrity.

Properties

• CAS Number: 886762-08-9
• Complexity: 176
• IUPAC Name: 5-bromo-2-(trifluoromethoxy)aniline
• InChI: InChI=1S/C7H5BrF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2
• InChI Key: FOJWHUFRHXEUBA-UHFFFAOYSA-N
• Exact Mass: 254.95066
• Molecular Formula: C7H5BrF3NO
• Molecular Weight: 256.02
• SMILES: C1=CC(=C(C=C1Br)N)OC(F)(F)F
• Topological: 35.3
• Monoisotopic Mass: 254.95066
• Synonyms: 5-bromo-2-(trifluoromethoxy)aniline, 886762-08-9, DTXSID90381416, DTXCID70332441, 814-497-4, 3-Amino-4-(trifluoromethoxy)BromoBenzene, 5-bromo-2-trifluoromethoxyaniline, MFCD04039242, 5-Bromo-2-trifluoromethoxy-phenylamine, SCHEMBL526369, 5-bromo-2-trifluoromethoxy aniline, SBB101654, TD1079, 2-trifluoromethoxy-5-bromo-phenylamine, AKOS015834783, 2-Amino-4-bromo-trfluoromethoxybenzene, CS-W003143, PS-7409, 5-bromo-2-(trifluoromethoxy)phenylamine, 5-bromanyl-2-(trifluoromethyloxy)aniline, AC-28691, SY020762, DB-024278, EN300-247294, A842833

Application

5-Bromo-2-(trifluoromethoxy)aniline serves as a key building block in medicinal chemistry for synthesizing trifluoromethoxy-containing drug candidates, particularly CNS-targeting compounds. Its electron-withdrawing groups facilitate nucleophilic aromatic substitutions in agrochemical production. The compound is also employed in OLED material research due to its conjugated system and fluorine-enhanced stability. Researchers utilize it to create custom ligands for transition metal catalysis.

Safety and Hazards

GHS Hazard Statements

• H301 (90.3%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Precautionary Statements

• P264, P270, P280, P301+P316, P302+P352, P321, P330, P332+P317, P362+P364, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (90.3%)
• Skin Irrit. 2 (100%)

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