1-bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene


Chemical Name: 1-bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene
CAS Number: 954123-46-7
Product Number: AG0032PK(AGN-PC-03O0O4)
Synonyms:
MDL No:
Molecular Formula: C8H5Br2F3
Molecular Weight: 317.9285

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
317.931g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
317.869g/mol
Monoisotopic Mass:
315.871g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
169
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


NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene is a versatile compound widely utilized in chemical synthesis due to its unique reactivity and structural features. With its trifluoromethyl group, this compound serves as a valuable building block in the creation of pharmaceuticals, agrochemicals, and materials with enhanced properties. The bromomethyl groups offer a site-selective functionalization handle, allowing for strategic modifications in organic synthesis. In cross-coupling reactions, this compound acts as an efficient coupling partner, enabling the formation of complex molecular structures. Additionally, the presence of bromine atoms enhances the compound's reactivity in various substitution reactions, facilitating the synthesis of diverse organic compounds. Overall, 1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene plays a crucial role in the realm of chemical synthesis, enabling the preparation of novel molecules with diverse functionalities and applications.