6-(Trifluoromethoxy)benzo[d]thiazole


Chemical Name: 6-(Trifluoromethoxy)benzo[d]thiazole
CAS Number: 876500-72-0
Product Number: AG00GTVE(AGN-PC-0WAMFJ)
Synonyms:
MDL No: MFCD06659654
Molecular Formula: C8H4F3NOS
Molecular Weight: 219.1837

Identification/Properties


Computed Properties
Molecular Weight:
219.181g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
218.997g/mol
Monoisotopic Mass:
218.997g/mol
Topological Polar Surface Area:
50.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
211
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



6-(Trifluoromethoxy)benzo[d]thiazole is a versatile compound that finds wide application in chemical synthesis. Its unique structure makes it a valuable building block for the creation of various pharmaceuticals, agrochemicals, and materials. In organic synthesis, this compound serves as a key intermediate in the preparation of thiazole-based compounds with diverse properties and functionalities. Additionally, its trifluoromethoxy group imparts valuable characteristics such as increased lipophilicity and electron-withdrawing capabilities, making it particularly useful in drug discovery and development processes. Furthermore, 6-(Trifluoromethoxy)benzo[d]thiazole exhibits promising potential in the design and synthesis of novel materials with tailored properties for applications in the fields of optoelectronics, polymers, and more. Its versatility and unique reactivity make it a valuable asset in the toolbox of synthetic chemists seeking to access complex molecular architectures efficiently and systematically.