4-bromo-2-(trifluoromethyl)-1H-indole


Chemical Name: 4-bromo-2-(trifluoromethyl)-1H-indole
CAS Number: 955978-75-3
Product Number: AG00IJ7Q(AGN-PC-09RNON)
Synonyms:
MDL No: MFCD17215879
Molecular Formula: C9H5BrF3N
Molecular Weight: 264.0419

Identification/Properties


Computed Properties
Molecular Weight:
264.045g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
262.956g/mol
Monoisotopic Mass:
262.956g/mol
Topological Polar Surface Area:
15.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
219
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#:
N/A
Hazard Statements:
H302-H317
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Bromo-2-(trifluoromethyl)indole is a versatile chemical compound widely used in organic synthesis due to its unique structural properties and reactivity. This compound serves as a valuable building block in the preparation of various pharmaceuticals, agrochemicals, and materials.One of the key applications of 4-Bromo-2-(trifluoromethyl)indole is its role as a key intermediate in the synthesis of biologically active molecules. Its trifluoromethyl group imparts distinct properties to the resulting compounds, making them valuable for research and drug development.Additionally, 4-Bromo-2-(trifluoromethyl)indole can participate in various cross-coupling reactions, enabling the creation of new carbon-carbon and carbon-heteroatom bonds. This versatility allows for the rapid construction of complex molecular structures in a controlled manner.Furthermore, the presence of the bromine atom in 4-Bromo-2-(trifluoromethyl)indole offers strategic functionalization sites for further derivatization, enabling the synthesis of diverse derivatives with tailored properties for specific applications.Overall, 4-Bromo-2-(trifluoromethyl)indole is a valuable tool in the hands of synthetic chemists, offering a wide range of possibilities for the efficient construction of diverse chemical compounds with potential applications in pharmaceuticals, materials science, and agrochemicals.