2-Bromo-3,4,5-trifluoroaniline
Names and Identifiers of 2-Bromo-3,4,5-trifluoroaniline
CAS Number |
1000577-24-1 |
|---|---|
MDL Number |
MFCD01311010 |
IUPAC Name |
2-bromo-3,4,5-trifluoroaniline |
InChI |
InChI=1S/C6H3BrF3N/c7-4-3(11)1-2(8)5(9)6(4)10/h1H,11H2 |
InChIKey |
DHBSROPCTQUZQS-UHFFFAOYSA-N |
Canonical SMILES |
C1=C(C(=C(C(=C1F)F)F)Br)N |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2-Bromo-3,4,5-trifluoroaniline
Boiling Point |
231.8±35.0 °C at 760 mmHg |
|---|---|
Density |
1.9±0.1 g/cm3 |
Exact Mass |
224.940094 |
Flash Point |
94.0±25.9 °C |
Index of Refraction |
1.546 |
LogP |
3.00 |
Molecular Formula |
C6H3BrF3N |
Molecular Weight |
225.994 |
PSA |
26.02000 |
Storage condition |
2-8°C(protect from light) |
Vapour Pressure |
0.1±0.5 mmHg at 25°C |
Safety Information of 2-Bromo-3,4,5-trifluoroaniline
Applications of 2-Bromo-3,4,5-trifluoroaniline
2-Bromo-3,4,5-trifluoroaniline has several applications:
- Pharmaceuticals: It serves as an intermediate in the synthesis of various pharmaceutical compounds due to its unique reactivity.
- Materials Science: The compound is utilized in developing new materials with specific properties.
- Chemical Research: It is employed in research settings for studying reaction mechanisms and developing new synthetic methodologies.
Interaction Studies of 2-Bromo-3,4,5-trifluoroaniline
Studies focusing on the interactions of 2-Bromo-3,4,5-trifluoroaniline with biological targets suggest that its halogen substituents enhance its affinity for certain enzymes or receptors. These interactions are essential for understanding its potential therapeutic effects and guiding further drug development efforts. The presence of fluorine atoms may also contribute to increased metabolic stability compared to non-fluorinated analogs.
Biological Activity of 2-Bromo-3,4,5-trifluoroaniline
The biological activity of 2-Bromo-3,4,5-trifluoroaniline is primarily linked to its potential as a pharmaceutical intermediate. The presence of bromine and fluorine enhances its binding affinity to biological targets such as enzymes and receptors. These interactions may modulate biological activities, making this compound a candidate for drug design and development.
Physical sample testing spectrum (NMR) of 2-Bromo-3,4,5-trifluoroaniline
