5-bromo-3-(trifluoromethyl)benzene-1,2-diamine


Chemical Name: 5-bromo-3-(trifluoromethyl)benzene-1,2-diamine
CAS Number: 157026-19-2
Product Number: AG001P69(AGN-PC-0N5RNO)
Synonyms:
MDL No:
Molecular Formula: C7H6BrF3N2
Molecular Weight: 255.0351

Identification/Properties


Properties
BP:
268.801°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
255.038g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
253.967g/mol
Monoisotopic Mass:
253.967g/mol
Topological Polar Surface Area:
52A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
185
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound 5-Bromo-3-(trifluoromethyl)-1,2-benzenediamine plays a crucial role in chemical synthesis as a versatile building block for creating a wide range of complex molecules. This compound serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials due to its unique chemical properties.One important application of this compound is in the development of novel drug candidates. By incorporating 5-Bromo-3-(trifluoromethyl)-1,2-benzenediamine into the molecular structure of potential drugs, chemists can enhance the pharmacological properties of the resulting compounds, such as improving bioavailability or increasing target specificity. Additionally, its trifluoromethyl group can introduce desirable lipophilicity or enhance metabolic stability, both of which are important factors in drug design.Furthermore, in the field of materials science, 5-Bromo-3-(trifluoromethyl)-1,2-benzenediamine can be utilized to synthesize functional materials with tailored properties, such as conducting polymers or molecular sensors. Its unique combination of functional groups provides opportunities for creating diverse chemical structures that exhibit specific electronic, optical, or catalytic properties, making it a valuable tool in designing advanced materials for various applications.Overall, the versatility of 5-Bromo-3-(trifluoromethyl)-1,2-benzenediamine in chemical synthesis makes it a valuable building block for designing molecular entities with diverse functionalities and applications in pharmaceuticals, agrochemicals, and materials science.