Description

2-Bromo-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-6-(trifluoromethyl)benzenamine (CAS No. 1207314-86-0) is a highly fluorinated aromatic amine derivative with the molecular formula C₁₀H₄BrF₁₀N. This compound features a unique perfluorinated isopropyl group and a bromo-substituted aniline core, making it a valuable intermediate in advanced organic synthesis and pharmaceutical research. Its high fluorine content enhances lipophilicity and metabolic stability, which is critical for the development of bioactive molecules. The IUPAC name for this compound is 2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)aniline. With exceptional purity and precise structural characterization, this chemical is ideal for researchers exploring fluorinated building blocks, agrochemicals, and materials science applications.

Properties

• CAS Number: 1207314-86-0
• Complexity: 386
• IUPAC Name: 2-bromo-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-6-(trifluoromethyl)aniline
• InChI: InChI=1S/C10H4BrF10N/c11-5-2-3(1-4(6(5)22)8(13,14)15)7(12,9(16,17)18)10(19,20)21/h1-2H,22H2
• InChI Key: OVNMDSWQBKOQBF-UHFFFAOYSA-N
• Exact Mass: 406.93674
• Molecular Formula: C10H4BrF10N
• Molecular Weight: 408.03
• SMILES: C1=C(C=C(C(=C1C(F)(F)F)N)Br)C(C(F)(F)F)(C(F)(F)F)F
• Topological: 26
• Monoisotopic Mass: 406.93674
• Synonyms: 2-Bromo-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-6-(trifluoromethyl)benzenamine, 2-Bromo-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-6-(trifluoromethyl)benzenamine, 1207314-86-0, 2-bromo-4-(perfluoropropan-2-yl)-6-(trifluoromethyl)aniline, Benzenamine, 2-bromo-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-6-(trifluoromethyl)-, 2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)aniline, SCHEMBL1050751, DTXSID301125307, NS00134179, E85873, 2-bromo-4-(heptafluoropropan-2-yl)-6-(trifluoromethyl)aniline

Application

This compound serves as a versatile fluorinated intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its electron-withdrawing perfluoroalkyl groups make it useful in designing bioactive molecules with enhanced stability and binding affinity. Researchers may employ it in cross-coupling reactions, nucleophilic substitutions, or as a precursor for advanced ligands in catalysis. Additionally, its unique structure is valuable in developing high-performance polymers and liquid crystals with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P273, P391, and P501

Hazard Classes and Categories

• Aquatic Acute 1 (100%)
• Aquatic Chronic 1 (100%)

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