Benzenamine, 3-bromo-4-(trifluoromethyl)-


Chemical Name: Benzenamine, 3-bromo-4-(trifluoromethyl)-
CAS Number: 172215-91-7
Product Number: AG00AKAX(AGN-PC-01YVO8)
Synonyms:
MDL No:
Molecular Formula: C7H5BrF3N
Molecular Weight: 240.0205

Identification/Properties


Properties
MP:
108℃ (ligroine )
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
240.023g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
238.956g/mol
Monoisotopic Mass:
238.956g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
159
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-H320-H335
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Bromo-4-(trifluoromethyl)aniline is a versatile chemical compound widely used in organic synthesis processes. Its unique structure and properties make it a valuable building block in the development of pharmaceuticals, agrochemicals, and advanced materials.1. As a versatile intermediate: Due to its reactive bromine and trifluoromethyl group, 3-Bromo-4-(trifluoromethyl)aniline serves as a valuable intermediate in the synthesis of various organic compounds. It can undergo a range of transformations such as nucleophilic substitution, Suzuki coupling, and transition metal-catalyzed reactions to introduce specific functional groups at desired positions.2. Medicinal chemistry: In the field of medicinal chemistry, 3-Bromo-4-(trifluoromethyl)aniline finds applications in the synthesis of bioactive molecules and pharmaceuticals. By incorporating this compound into drug molecules, researchers can modify their physicochemical properties, enhance their biological activity, and improve their pharmacokinetic profiles.3. Agrochemical development: The trifluoromethyl group in 3-Bromo-4-(trifluoromethyl)aniline imparts unique properties to agrochemicals synthesized using this compound. Its presence can enhance the stability, lipophilicity, and bioavailability of pesticides, herbicides, and fungicides, leading to improved efficacy and reduced environmental impact.Overall, 3-Bromo-4-(trifluoromethyl)aniline plays a crucial role in modern chemical synthesis by enabling the creation of complex and functionally diverse molecules with applications across multiple industries.