2-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole


Chemical Name: 2-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CAS Number: 886367-52-8
Product Number: AG004A1B(AGN-PC-080U12)
Synonyms:
MDL No:
Molecular Formula: C10H5BrF3NS
Molecular Weight: 308.1176

Identification/Properties


Properties
BP:
320.0±37.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
308.116g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
306.928g/mol
Monoisotopic Mass:
306.928g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
241
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-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Bromo-4-(4-(trifluoromethyl)phenyl)thiazole is a versatile compound widely utilized in chemical synthesis for its unique properties and reactivity. This compound serves as a valuable building block in the preparation of various organic molecules and pharmaceuticals. It is frequently employed as a key intermediate in the synthesis of biologically active compounds due to its ability to undergo diverse chemical transformations, including cross-coupling reactions, nucleophilic substitution, and transition metal-catalyzed processes. The presence of both bromine and trifluoromethyl groups in its structure imparts enhanced nucleophilicity and electron-deficiency, making it an attractive substrate for the construction of complex molecular structures. By incorporating 2-Bromo-4-(4-(trifluoromethyl)phenyl)thiazole into synthetic pathways, chemists can efficiently access a wide range of functionalized molecules with potential applications in medicinal chemistry, material science, and agrochemical research.