CAS 2727-71-1

N-(2-Bromophenyl)-2,2,2-trifluoroacetamide

Description:

N-(2-Bromophenyl)-2,2,2-trifluoroacetamide is an organic compound characterized by its unique structure, which includes a bromophenyl group and a trifluoroacetamide moiety. This compound typically appears as a solid at room temperature and is known for its relatively high stability due to the presence of the trifluoroacetamide functional group, which enhances its lipophilicity and potential reactivity. The bromine atom in the 2-position of the phenyl ring contributes to its electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions. The trifluoromethyl group imparts significant electronic effects, influencing the compound's reactivity and solubility in organic solvents. Additionally, this compound may exhibit biological activity, making it of interest in pharmaceutical research. Its properties, such as melting point, boiling point, and solubility, can vary based on environmental conditions and the presence of other substances. As with many halogenated compounds, safety precautions should be taken due to potential toxicity and environmental impact.

Formula: C₈H₅BrF₃NO

InChI: InChI=1S/C8H5BrF3NO/c9-5-3-1-2-4-6(5)13-7(14)8(10,11)12/h1-4H,(H,13,14)

InChI key: InChIKey=YAIXIJZAVUCEAC-UHFFFAOYSA-N

SMILES: N(C(C(F)(F)F)=O)C1=C(Br)C=CC=C1

Synonyms:

• Acetamide, N-(2-bromophenyl)-2,2,2-trifluoro-
• Acetanilide, 2′-bromo-2,2,2-trifluoro-
• N-(2-Bromophenyl)-2,2,2-trifluoroacetamide
• N-(2-bromo-4-isopropylphenyl)-2,2,2-trifluoroacetamide

N-(2-Bromophenyl)-2,2,2-trifluoroacetamide

CAS: 2727-71-1

N-(2-Bromophenyl)-2,2,2-trifluoroacetamide is a functional chemical that has been experimentally validated by computationally optimized geometries and reaction mechanisms. It is a catalytic molecule that can be used in the conversion of alkenes to epoxides or dienes. The catalytic mechanism involves a transition state with two orbitals interacting with each other in an anti-bonding manner. This functional chemical has not yet been found in nature.

Formula: C₈H₅BrF₃NO

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 268.03 g/mol

Ref: 3D-CAA72771