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Purchase CAS:1009-22-9 | 2'-Bromo-4'-fluoroacetanilide,view related peer-reviewed papers,technical documents,similar products,MSDS & more.N-(2-bromo-4-fluorophenyl)acetamide is a chemical compound that has been the subject of various studies due to its potential applications in the medical and pharmaceutical fields. While the provided papers do not directly discuss N-(2-bromo-4-fluorophenyl)acetamide, they do provide insights into sim...
N-(2-bromo-4-fluorophenyl)acetamide is a chemical compound that has been the subject of various studies due to its potential applications in the medical and pharmaceutical fields. While the provided papers do not directly discuss N-(2-bromo-4-fluorophenyl)acetamide, they do provide insights into similar compounds, which can be used to infer certain properties and behaviors of the compound .
The synthesis of related acetamide compounds typically involves reactions such as alkylation, nitration, and the use of reagents like POCl3 in acetate. For example, N-[4-(4-Bromobutoxy)-2-nitrophenyl]acetamide was synthesized from p-acetamidophenol via alkylation and nitration, suggesting that similar methods could potentially be applied to synthesize N-(2-bromo-4-fluorophenyl)acetamide.
The molecular structure of acetamide derivatives is often characterized by the dihedral angles between the phenyl ring and the acetamide group, as well as the interactions between different functional groups. For instance, in 2-(4-Bromophenyl)-N-(2-methoxyphenyl)acetamide, the dihedral angle between the two benzene rings is significant, and intermolecular hydrogen bonds and contacts form chains in the crystal structure. These structural features are crucial for understanding the physical properties and reactivity of the compound.
Acetamide compounds can participate in various chemical reactions, including hydrogen bonding and interactions with other molecules. For example, 2,2-Dibromo-N-(4-fluorophenyl)acetamide forms chains in the crystal structure through C-H⋯O and N-H⋯O hydrogen bonding. These interactions are important for the stability and reactivity of the molecules.
The physical and chemical properties of acetamide derivatives can be deduced from spectroscopic data and computational studies. For instance, vibrational spectroscopy and quantum computations have been used to assign vibrational modes and investigate the stability of molecules like 5-[(4-Bromophenyl)acetamido]-2-(4-tert-butylphenyl) benzoxazole. The HOMO-LUMO analysis and NBO analysis provide insights into charge transfer and hyper-conjugative interactions within the molecule. These analyses are essential for predicting the behavior of N-(2-bromo-4-fluorophenyl)acetamide in various environments.
“N-(2-bromo-4-fluorophenyl)acetamide” should be handled with care. Avoid breathing its dust, fume, gas, mist, vapors, or spray. Avoid contact with skin and eyes. Use personal protective equipment and ensure adequate ventilation. Remove all sources of ignition and evacuate personnel to safe areas.
“N-(2-bromo-4-fluorophenyl)acetamide” is mainly used as an intermediate in organic synthesis reactions. It can be used to prepare other organic compounds, such as drugs and dyes. Future research could explore new synthesis methods, potential applications, and safety measures for this compound.
Product Name: | 2'-Bromo-4'-fluoroacetanilide |
Synonyms: | N-(2-Bromo-4-fluoro-phenyl)acetamide;2'-BROMO-4'-FLUOROACETANILIDE;2-BROMO-4-FLUOROACETANILIDE;2?bromo-4?fluorophenyl acetamide;2'-Bromo-4'-fluoroacetanilide 97%;2'-Bromo-4'-fluoroacetanilide97%;N-Acetyl 2-bromo-4-fluoroaniline;2-BROMO-4-FLUOROACETANILIDE 99+% |
CAS: | 1009-22-9 |
MF: | C8H7BrFNO |
MW: | 232.05 |
EINECS: | 600-141-3 |
Product Categories: | Anilines, Amides & Amines;Bromine Compounds;Fluorine Compounds;Nitrogen Compounds;Organic Building Blocks;Protected Amines;Aromatic Halides (substituted) |
Mol File: | 1009-22-9.mol |
2'-Bromo-4'-fluoroacetanilide Chemical Properties |
Melting point | 117-119 °C(lit.) |
Boiling point | 337.5±32.0 °C(Predicted) |
density | 1.623±0.06 g/cm3(Predicted) |
storage temp. | Sealed in dry,Room Temperature |
solubility | soluble in Methanol |
pka | 13.17±0.70(Predicted) |
form | Solid |
color | White to Almost white |
BRN | 2803940 |
InChI | InChI=1S/C8H7BrFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12) |
InChIKey | JAVSBNOXENOHEI-UHFFFAOYSA-N |
SMILES | C(NC1=CC=C(F)C=C1Br)(=O)C |
LogP | 1.5 at 23℃ and pH6.1 |
CAS DataBase Reference | 1009-22-9(CAS DataBase Reference) |