2-Amino-5-bromo-3-(trifluoromethyl)benzonitrile
CAS No.:
1000571-53-8
M. Wt:
265.030
M. Fa:
C8H4BrF3N2
InChI Key:
QMUIRDSEOUGZIP-UHFFFAOYSA-N
Appearance:
White Solid
Names and Identifiers of 1000571-53-8
CAS Number |
1000571-53-8 |
|---|---|
MDL Number |
MFCD09800831 |
IUPAC Name |
2-amino-5-bromo-3-(trifluoromethyl)benzonitrile |
InChI |
InChI=1S/C8H4BrF3N2/c9-5-1-4(3-13)7(14)6(2-5)8(10,11)12/h1-2H,14H2 |
InChIKey |
QMUIRDSEOUGZIP-UHFFFAOYSA-N |
Canonical SMILES |
C1=C(C=C(C(=C1C#N)N)C(F)(F)F)Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000571-53-8
Boiling Point |
267.4±40.0 °C at 760 mmHg |
|---|---|
Density |
1.8±0.1 g/cm3 |
Exact Mass |
263.950989 |
Flash Point |
115.5±27.3 °C |
Index of Refraction |
1.554 |
LogP |
3.72 |
Melting Point |
93 to 95°C |
Molecular Formula |
C8H4BrF3N2 |
Molecular Weight |
265.030 |
Storage condition |
2-8°C(protect from light) |
Vapour Pressure |
0.0±0.5 mmHg at 25°C |
Safety Information of 1000571-53-8
Applications of 1000571-53-8
2-Amino-5-bromo-3-(trifluoromethyl)benzonitrile has potential applications in various fields:
- Pharmaceuticals: Its structural features make it a candidate for drug development, particularly in creating new antimicrobial or anticancer agents.
- Material Science: The compound may serve as a precursor in synthesizing liquid crystals or other advanced materials due to its unique electronic properties.
- Chemical Research: It is useful as an intermediate in organic synthesis, particularly in developing more complex molecules.
Interaction Studies of 1000571-53-8
Interaction studies involving 2-amino-5-bromo-3-(trifluoromethyl)benzonitrile are crucial for understanding its potential biological effects. Preliminary studies suggest that compounds with similar structures can interact with various biological targets, including enzymes and receptors. Such interactions could lead to therapeutic applications or toxicity assessments.
Physical sample testing spectrum (NMR) of 1000571-53-8
