2-bromo-3-(trifluoromethyl)benzonitrile
$300.00
CAS No.: 914637-07-3
Catalog No.: 197201
Purity: 95%
MF: C8H3BrF3N
MW: 250.017
Storage: 2-8 degree Celsius
SMILES: BrC1=C(C#N)C=CC=C1C(F)(F)F
Catalog No.: 197201
Purity: 95%
MF: C8H3BrF3N
MW: 250.017
Storage: 2-8 degree Celsius
SMILES: BrC1=C(C#N)C=CC=C1C(F)(F)F
2-bromo-3-(trifluoromethyl)benzonitrile; CAS No.: 914637-07-3; 2-bromo-3-(trifluoromethyl)benzonitrile. PROPERTIES: This bromo-trifluoromethyl-substituted benzonitrile features molecular formula C?H?BrF?N with molecular weight 224.00 g/mol. It generally appears as a white crystalline powder. Soluble in non-polar and slightly polar organic solvents like hexanes and ethyl acetate. Melting point approximately 80-85 C. Exhibits IR absorption for nitrile (~2220 cm??) and C-Br/C-F groups (~600-500 cm?? and ~1300-1100 cm??). Thermogravimetric analysis indicates decomposition above 180 C under nitrogen. For optimal stability, store at 2-8 C in tightly sealed containers with desiccant, protected from light. The compound may cause severe skin burns and eye damage; therefore, rigorous containment and personal protection measures are essential during manipulation. APPLICATIONS: As a bromo-trifluoromethyl-substituted benzonitrile, 2-bromo-3-(trifluoromethyl)benzonitrile is predominantly utilized in the synthesis of agrochemicals. It serves as a key intermediate in constructing pyrazole-based herbicides, where the bromo and trifluoromethyl groups provide valuable binding affinity for plant enzymes as demonstrated in pesticide chemistry research (Pest Management Science). Additionally, the compound participates in the development of fluorescent probes for bioimaging applications, where its nitrile functionality enables conjugation to biomolecules via click chemistry reactions (Bioconjugate Chemistry). In materials science, it functions as a monomer for preparing polyurethane foams with enhanced thermal stability, where the trifluoromethyl group contributes to improved flame retardancy and mechanical properties (Polymer International).
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